6-Chloroquinolin-4-amine
PubChem CID
601400
Structure
Molecular Formula
Synonyms
- 6-chloroquinolin-4-amine
- 4-Amino-6-chloroquinoline
- 20028-60-8
- 6-Chloro-quinolin-4-ylamine
- CHEMBL4847851
Molecular Weight
178.62 g/mol
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Dates
- Create:2005-03-27
- Modify:2025-01-11
Chemical Structure Depiction
6-chloroquinolin-4-amine
Computed by LexiChem 2.6.6 (PubChem release 2019.06.18)
InChI=1S/C9H7ClN2/c10-6-1-2-9-7(5-6)8(11)3-4-12-9/h1-5H,(H2,11,12)
Computed by InChI 1.0.5 (PubChem release 2019.06.18)
ANAOKPHXXDXCAL-UHFFFAOYSA-N
Computed by InChI 1.0.5 (PubChem release 2019.06.18)
C1=CC2=NC=CC(=C2C=C1Cl)N
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C9H7ClN2
Computed by PubChem 2.1 (PubChem release 2019.06.18)
- 6-chloroquinolin-4-amine
- 4-Amino-6-chloroquinoline
- 20028-60-8
- 6-Chloro-quinolin-4-ylamine
- CHEMBL4847851
- 103028-97-3
- 4-Quinolinamine,6-chloro-
- MFCD06658304
- 4-Amino-6-chloroquinolin
- 6-Chloro-4-quinolinamine #
- F2156-0057
- 6-Chloro-4(1H)-quinolinimine
- SCHEMBL21101482
- ANAOKPHXXDXCAL-UHFFFAOYSA-N
- DTXSID201309388
- AB1047
- BBL030589
- BDBM50571366
- STK787841
- AKOS000272107
- SB35153
- AS-44496
- DB-066035
- EN300-237944
- QD1
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
178.62 g/mol
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
XLogP3
Property Value
2.3
Reference
Computed by XLogP3 3.0 (PubChem release 2019.06.18)
Property Name
Hydrogen Bond Donor Count
Property Value
1
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Hydrogen Bond Acceptor Count
Property Value
2
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Rotatable Bond Count
Property Value
0
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Exact Mass
Property Value
178.0297759 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Monoisotopic Mass
Property Value
178.0297759 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Topological Polar Surface Area
Property Value
38.9 Ų
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Heavy Atom Count
Property Value
12
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
163
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
1
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2011.04.04)
NIST Number
257263
Library
Main library
Total Peaks
100
m/z Top Peak
178
m/z 2nd Highest
180
m/z 3rd Highest
89
Thumbnail
NIST Number
362635
Library
Replicate library
Total Peaks
70
m/z Top Peak
52
m/z 2nd Highest
178
m/z 3rd Highest
89
Thumbnail
Follow these links to do a live 2D search or do a live 3D search for this compound, sorted by annotation score. This section is deprecated (see here for details), but these live search links provide equivalent functionality to the table that was previously shown here.
Same Parent, Exact Count
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
Protein Structures Count
- CAS Common ChemistryLICENSEThe data from CAS Common Chemistry is provided under a CC-BY-NC 4.0 license, unless otherwise stated.https://creativecommons.org/licenses/by-nc/4.0/6-Chloro-4(1H)-quinoliniminehttps://commonchemistry.cas.org/detail?cas_rn=103028-97-3
- EPA DSSTox6-Chloro-4(1H)-quinoliniminehttps://comptox.epa.gov/dashboard/DTXSID201309388
- ChEMBLLICENSEAccess to the web interface of ChEMBL is made under the EBI's Terms of Use (http://www.ebi.ac.uk/Information/termsofuse.html). The ChEMBL data is made available on a Creative Commons Attribution-Share Alike 3.0 Unported License (http://creativecommons.org/licenses/by-sa/3.0/).http://www.ebi.ac.uk/Information/termsofuse.htmlChEMBL Protein Target Treehttps://www.ebi.ac.uk/chembl/g/#browse/targets
- Japan Chemical Substance Dictionary (Nikkaji)
- Nature Chemical Biology
- NIST Mass Spectrometry Data CenterLICENSEData covered by the Standard Reference Data Act of 1968 as amended.https://www.nist.gov/srd/public-law4-Amino-6-chloroquinolinhttp://www.nist.gov/srd/nist1a.cfm
- SpectraBase6-Chloroquinolin-4-aminehttps://spectrabase.com/spectrum/8KhpLzTgjCA4-quinolinamine, 6-chloro-https://spectrabase.com/spectrum/EfcngtdXL2h
- Protein Data Bank in Europe (PDBe)
- RCSB Protein Data Bank (RCSB PDB)LICENSEData files contained in the PDB archive (ftp://ftp.wwpdb.org) are free of all copyright restrictions and made fully and freely available for both non-commercial and commercial use. Users of the data should attribute the original authors of that structural data.https://www.rcsb.org/pages/policies
- Springer Nature
- PubChem
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
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