7-chloro-5-(4-chloro-3-fluorophenyl)-2-[(4-methoxyphenyl)methyl]-1-methylimidazo[4,5-c]quinolin-4-one

C25H18Cl2FN3O2 — CID 171514447

IUPAC7-chloro-5-(4-chloro-3-fluorophenyl)-2-[(4-methoxyphenyl)methyl]-1-methylimidazo[4,5-c]quinolin-4-one
SMILESCOc1ccc(Cc2nc3c(=O)n(-c4ccc(Cl)c(F)c4)c4cc(Cl)ccc4c3n2C)cc1
InChIInChI=1S/C25H18Cl2FN3O2/c1-30-22(11-14-3-7-17(33-2)8-4-14)29-23-24(30)18-9-5-15(26)12-21(18)31(25(23)32)16-6-10-19(27)20(28)13-16/h3-10,12-13H,11H2,1-2H3
InChIKeyMKOCFRZGAHPLSY-UHFFFAOYSA-N
MW482.34 g/mol
LogP5.92
Rot. Bonds4

About 7-chloro-5-(4-chloro-3-fluorophenyl)-2-[(4-methoxyphenyl)methyl]-1-methylimidazo[4,5-c]quinolin-4-one

7-chloro-5-(4-chloro-3-fluorophenyl)-2-[(4-methoxyphenyl)methyl]-1-methylimidazo[4,5-c]quinolin-4-one (PubChem CID 171514447) has the molecular formula C25H18Cl2FN3O2 and a molecular weight of 482.34 g/mol. Its IUPAC name is 7-chloro-5-(4-chloro-3-fluorophenyl)-2-[(4-methoxyphenyl)methyl]-1-methylimidazo[4,5-c]quinolin-4-one.

Molecular Properties

Compound Name7-chloro-5-(4-chloro-3-fluorophenyl)-2-[(4-methoxyphenyl)methyl]-1-methylimidazo[4,5-c]quinolin-4-one
PubChem CID171514447
Molecular FormulaC25H18Cl2FN3O2
Molecular Weight482.34 g/mol
Exact Mass481.08
IUPAC Name7-chloro-5-(4-chloro-3-fluorophenyl)-2-[(4-methoxyphenyl)methyl]-1-methylimidazo[4,5-c]quinolin-4-one
SMILESCOc1ccc(Cc2nc3c(=O)n(-c4ccc(Cl)c(F)c4)c4cc(Cl)ccc4c3n2C)cc1
InChIInChI=1S/C25H18Cl2FN3O2/c1-30-22(11-14-3-7-17(33-2)8-4-14)29-23-24(30)18-9-5-15(26)12-21(18)31(25(23)32)16-6-10-19(27)20(28)13-16/h3-10,12-13H,11H2,1-2H3
InChIKeyMKOCFRZGAHPLSY-UHFFFAOYSA-N
XLogP5.92
TPSA49.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.34
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-(4-chloro-3-fluorophenyl)-2-[(4-methoxyphenyl)methyl]-1-methylimidazo[4,5-c]quinolin-4-one?
The IUPAC name of 7-chloro-5-(4-chloro-3-fluorophenyl)-2-[(4-methoxyphenyl)methyl]-1-methylimidazo[4,5-c]quinolin-4-one (CID 171514447) is 7-chloro-5-(4-chloro-3-fluorophenyl)-2-[(4-methoxyphenyl)methyl]-1-methylimidazo[4,5-c]quinolin-4-one.
What is the SMILES notation for 7-chloro-5-(4-chloro-3-fluorophenyl)-2-[(4-methoxyphenyl)methyl]-1-methylimidazo[4,5-c]quinolin-4-one?
The canonical SMILES for 7-chloro-5-(4-chloro-3-fluorophenyl)-2-[(4-methoxyphenyl)methyl]-1-methylimidazo[4,5-c]quinolin-4-one is COc1ccc(Cc2nc3c(=O)n(-c4ccc(Cl)c(F)c4)c4cc(Cl)ccc4c3n2C)cc1.
What is the InChIKey of 7-chloro-5-(4-chloro-3-fluorophenyl)-2-[(4-methoxyphenyl)methyl]-1-methylimidazo[4,5-c]quinolin-4-one?
The InChIKey is MKOCFRZGAHPLSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18Cl2FN3O2/c1-30-22(11-14-3-7-17(33-2)8-4-14)29-23-24(30)18-9-5-15(26)12-21(18)31(25(23)32)16-6-10-19(27)20(28)13-16/h3-10,12-13H,11H2,1-2H3.
What are the key properties of 7-chloro-5-(4-chloro-3-fluorophenyl)-2-[(4-methoxyphenyl)methyl]-1-methylimidazo[4,5-c]quinolin-4-one?
7-chloro-5-(4-chloro-3-fluorophenyl)-2-[(4-methoxyphenyl)methyl]-1-methylimidazo[4,5-c]quinolin-4-one has a molecular weight of 482.34 g/mol, XLogP of 5.92, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-(4-chloro-3-fluorophenyl)-2-[(4-methoxyphenyl)methyl]-1-methylimidazo[4,5-c]quinolin-4-one is sourced from PubChem (CID 171514447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).