1-Azido-3-methylbenzo[F]quinoline
PubChem CID
12318242
Structure
Molecular Formula
Synonyms
- 1-AZIDO-3-METHYLBENZO[F]QUINOLINE
- 61773-09-9
- DTXSID20488043
Molecular Weight
234.26 g/mol
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Dates
- Create:2007-02-07
- Modify:2024-12-28
Chemical Structure Depiction
1-azido-3-methylbenzo[f]quinoline
Computed by Lexichem TK 2.7.0 (PubChem release 2024.11.20)
InChI=1S/C14H10N4/c1-9-8-13(17-18-15)14-11-5-3-2-4-10(11)6-7-12(14)16-9/h2-8H,1H3
Computed by InChI 1.07.0 (PubChem release 2024.11.20)
ODJQGJWRJGXHNP-UHFFFAOYSA-N
Computed by InChI 1.07.0 (PubChem release 2024.11.20)
CC1=CC(=C2C(=N1)C=CC3=CC=CC=C32)N=[N+]=[N-]
Computed by OEChem 2.3.0 (PubChem release 2024.11.20)
C14H10N4
Computed by PubChem 2.2 (PubChem release 2024.11.20)
61773-09-9
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
234.26 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
XLogP3-AA
Property Value
4.8
Reference
Computed by XLogP3 3.0 (PubChem release 2024.11.20)
Property Name
Hydrogen Bond Donor Count
Property Value
0
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Rotatable Bond Count
Property Value
1
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Exact Mass
Property Value
234.090546336 Da
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Monoisotopic Mass
Property Value
234.090546336 Da
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Topological Polar Surface Area
Property Value
27.3Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Heavy Atom Count
Property Value
18
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
350
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 2010.01.29)
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Similar Compounds (2D)
Similar Conformers (3D)
Same Count
- EPA DSSTox1-Azido-3-methylbenzo[f]quinolinehttps://comptox.epa.gov/dashboard/DTXSID20488043
- Wikidata1-Azido-3-methylbenzo[f]quinolinehttps://www.wikidata.org/wiki/Q82330448
- PubChem
CONTENTS