2-(Aminomethyl)-4-((7-chloroquinolin-4-yl)amino)phenol
PubChem CID
181536
Structure
Molecular Formula
Synonyms
- 37672-04-1
- 2-(Aminomethyl)-4-((7-chloroquinolin-4-yl)amino)phenol
- 2-(aminomethyl)-4-[(7-chloroquinolin-4-yl)amino]phenol
- Phenol, 2-(aminomethyl)-4-((7-chloro-4-quinolinyl)amino)-
- 2-(Aminomethyl)-4-((7-chloroquinolin-4-yl)amino)phenol Hydrochloride Salt
Molecular Weight
299.75 g/mol
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Dates
- Create:2005-08-09
- Modify:2025-01-04
Chemical Structure Depiction
2-(aminomethyl)-4-[(7-chloroquinolin-4-yl)amino]phenol
Computed by Lexichem TK 2.7.0 (PubChem release 2024.11.20)
InChI=1S/C16H14ClN3O/c17-11-1-3-13-14(5-6-19-15(13)8-11)20-12-2-4-16(21)10(7-12)9-18/h1-8,21H,9,18H2,(H,19,20)
Computed by InChI 1.07.0 (PubChem release 2024.11.20)
AVPAYZANVNXCCK-UHFFFAOYSA-N
Computed by InChI 1.07.0 (PubChem release 2024.11.20)
C1=CC(=C(C=C1NC2=C3C=CC(=CC3=NC=C2)Cl)CN)O
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C16H14ClN3O
Computed by PubChem 2.2 (PubChem release 2024.11.20)
37672-04-1
- 37672-04-1
- 2-(Aminomethyl)-4-((7-chloroquinolin-4-yl)amino)phenol
- 2-(aminomethyl)-4-[(7-chloroquinolin-4-yl)amino]phenol
- Phenol, 2-(aminomethyl)-4-((7-chloro-4-quinolinyl)amino)-
- 2-(Aminomethyl)-4-((7-chloroquinolin-4-yl)amino)phenol Hydrochloride Salt
- BIDESETHYL AMODIAQUINE
- CHEMBL1631
- DTXSID00191088
- SB69953
- ;2-[(Ethylamino)methyl]-4-[(7-chloroquinolin-4-yl)amino]phenol
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
299.75 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
XLogP3
Property Value
1.4
Reference
Computed by XLogP3 3.0 (PubChem release 2024.11.20)
Property Name
Hydrogen Bond Donor Count
Property Value
3
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Hydrogen Bond Acceptor Count
Property Value
4
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Rotatable Bond Count
Property Value
3
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Exact Mass
Property Value
299.0825398 Da
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Monoisotopic Mass
Property Value
299.0825398 Da
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Topological Polar Surface Area
Property Value
71.2 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Heavy Atom Count
Property Value
21
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
343
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
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 2021.10.14)
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.
Similar Compounds (2D)
Similar Conformers (3D)
Same Count
Protein Structures Count
- 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.html
- ChemIDplusPhenol, 2-(aminomethyl)-4-((7-chloro-4-quinolinyl)amino)-https://pubchem.ncbi.nlm.nih.gov/substance/?source=chemidplus&sourceid=0037672041ChemIDplus Chemical Information Classificationhttps://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus
- EPA DSSToxPhenol, 2-(aminomethyl)-4-((7-chloro-4-quinolinyl)amino)-https://comptox.epa.gov/dashboard/DTXSID00191088
- Japan Chemical Substance Dictionary (Nikkaji)
- PharmGKBLICENSEPharmGKB data are subject to the Creative Commons Attribution-ShareALike 4.0 license (https://creativecommons.org/licenses/by-sa/4.0/).https://www.pharmgkb.org/page/policiesn-bis-desethyl-amodiaquinehttps://www.pharmgkb.org/chemical/PA166131470
- WikidataPhenol, 2-(aminomethyl)-4-((7-chloro-4-quinolinyl)amino)-https://www.wikidata.org/wiki/Q83063572
- PubChem
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
CONTENTS