7-chloro-2-(4-methoxyphenyl)sulfanyl-1-methyl-5-phenylimidazo[4,5-c]quinolin-4-one

C24H18ClN3O2S — CID 171514553

IUPAC7-chloro-2-(4-methoxyphenyl)sulfanyl-1-methyl-5-phenylimidazo[4,5-c]quinolin-4-one
SMILESCOc1ccc(Sc2nc3c(=O)n(-c4ccccc4)c4cc(Cl)ccc4c3n2C)cc1
InChIInChI=1S/C24H18ClN3O2S/c1-27-22-19-13-8-15(25)14-20(19)28(16-6-4-3-5-7-16)23(29)21(22)26-24(27)31-18-11-9-17(30-2)10-12-18/h3-14H,1-2H3
InChIKeyOAFNTVHPHUECSX-UHFFFAOYSA-N
MW447.95 g/mol
LogP5.69
Rot. Bonds4

About 7-chloro-2-(4-methoxyphenyl)sulfanyl-1-methyl-5-phenylimidazo[4,5-c]quinolin-4-one

7-chloro-2-(4-methoxyphenyl)sulfanyl-1-methyl-5-phenylimidazo[4,5-c]quinolin-4-one (PubChem CID 171514553) has the molecular formula C24H18ClN3O2S and a molecular weight of 447.95 g/mol. Its IUPAC name is 7-chloro-2-(4-methoxyphenyl)sulfanyl-1-methyl-5-phenylimidazo[4,5-c]quinolin-4-one.

Molecular Properties

Compound Name7-chloro-2-(4-methoxyphenyl)sulfanyl-1-methyl-5-phenylimidazo[4,5-c]quinolin-4-one
PubChem CID171514553
Molecular FormulaC24H18ClN3O2S
Molecular Weight447.95 g/mol
Exact Mass447.08
IUPAC Name7-chloro-2-(4-methoxyphenyl)sulfanyl-1-methyl-5-phenylimidazo[4,5-c]quinolin-4-one
SMILESCOc1ccc(Sc2nc3c(=O)n(-c4ccccc4)c4cc(Cl)ccc4c3n2C)cc1
InChIInChI=1S/C24H18ClN3O2S/c1-27-22-19-13-8-15(25)14-20(19)28(16-6-4-3-5-7-16)23(29)21(22)26-24(27)31-18-11-9-17(30-2)10-12-18/h3-14H,1-2H3
InChIKeyOAFNTVHPHUECSX-UHFFFAOYSA-N
XLogP5.69
TPSA49.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.95
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

7-Chloro-5-(4-chloro-3-fluorophenyl)-2-[(4-methoxyphenyl)methyl]-1-methylimidazo[4,5-c]quinolin-4-one
CID 171514447
7-Chloro-2-[[4-(difluoromethoxy)phenyl]methyl]-1-methyl-5-(2-methyl-3-pyridinyl)imidazo[4,5-c]quinolin-4-one
CID 171514456
7-Chloro-2-[(4-methoxyphenyl)methyl]-1-methyl-5-[2-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-4-one
CID 171514473
7-Chloro-2-[(4-methoxyphenyl)methyl]-1-methyl-5-[2-(trifluoromethyl)-3-pyridinyl]imidazo[4,5-c]quinolin-4-one
CID 171514517
7-Chloro-5-(3-chloro-4-fluorophenyl)-2-[(4-methoxyphenyl)methyl]-1-methylimidazo[4,5-c]quinolin-4-one
CID 171514527
7-Chloro-5-(4-fluorophenyl)-2-[(4-methoxyphenyl)methyl]-1-methylimidazo[4,5-c]quinolin-4-one
CID 171514545
7-Chloro-2-[(3,4-dimethoxyphenyl)methyl]-1-methyl-5-phenylimidazo[4,5-c]quinolin-4-one
CID 171514424
7-Chloro-2-(4-methoxyphenyl)-1-methyl-5-(2-methylphenyl)imidazo[4,5-c]quinolin-4-one
CID 171514436
7-Chloro-2-[(2-methoxyphenyl)methyl]-1-methyl-5-phenylimidazo[4,5-c]quinolin-4-one
CID 171514437
7-Chloro-2-[(4-methoxyphenyl)methyl]-1-methyl-5-phenylimidazo[4,5-c]quinolin-4-one
CID 171514440
2-(1,3-Benzodioxol-5-ylsulfanyl)-7-chloro-1-methyl-5-(2-methyl-3-pyridinyl)imidazo[4,5-c]quinolin-4-one
CID 171514455
7-chloro-2-[(4-methoxyphenyl)methyl]-1-methyl-5H-imidazo[4,5-c]quinolin-4-one
CID 171514458

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(4-methoxyphenyl)sulfanyl-1-methyl-5-phenylimidazo[4,5-c]quinolin-4-one?
The IUPAC name of 7-chloro-2-(4-methoxyphenyl)sulfanyl-1-methyl-5-phenylimidazo[4,5-c]quinolin-4-one (CID 171514553) is 7-chloro-2-(4-methoxyphenyl)sulfanyl-1-methyl-5-phenylimidazo[4,5-c]quinolin-4-one.
What is the SMILES notation for 7-chloro-2-(4-methoxyphenyl)sulfanyl-1-methyl-5-phenylimidazo[4,5-c]quinolin-4-one?
The canonical SMILES for 7-chloro-2-(4-methoxyphenyl)sulfanyl-1-methyl-5-phenylimidazo[4,5-c]quinolin-4-one is COc1ccc(Sc2nc3c(=O)n(-c4ccccc4)c4cc(Cl)ccc4c3n2C)cc1.
What is the InChIKey of 7-chloro-2-(4-methoxyphenyl)sulfanyl-1-methyl-5-phenylimidazo[4,5-c]quinolin-4-one?
The InChIKey is OAFNTVHPHUECSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClN3O2S/c1-27-22-19-13-8-15(25)14-20(19)28(16-6-4-3-5-7-16)23(29)21(22)26-24(27)31-18-11-9-17(30-2)10-12-18/h3-14H,1-2H3.
What are the key properties of 7-chloro-2-(4-methoxyphenyl)sulfanyl-1-methyl-5-phenylimidazo[4,5-c]quinolin-4-one?
7-chloro-2-(4-methoxyphenyl)sulfanyl-1-methyl-5-phenylimidazo[4,5-c]quinolin-4-one has a molecular weight of 447.95 g/mol, XLogP of 5.69, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(4-methoxyphenyl)sulfanyl-1-methyl-5-phenylimidazo[4,5-c]quinolin-4-one is sourced from PubChem (CID 171514553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).