1-(2-chloro-4-fluorophenyl)-3-methyl-8-pyridin-3-ylimidazo[4,5-c]quinolin-2-one

C22H14ClFN4O — CID 11978210

IUPAC1-(2-chloro-4-fluorophenyl)-3-methyl-8-pyridin-3-ylimidazo[4,5-c]quinolin-2-one
SMILESCn1c(=O)n(-c2ccc(F)cc2Cl)c2c3cc(-c4cccnc4)ccc3ncc21
InChIInChI=1S/C22H14ClFN4O/c1-27-20-12-26-18-6-4-13(14-3-2-8-25-11-14)9-16(18)21(20)28(22(27)29)19-7-5-15(24)10-17(19)23/h2-12H,1H3
InChIKeyWOVXBSCXHINAHO-UHFFFAOYSA-N
MW404.83 g/mol
LogP4.73
Rot. Bonds2

About 1-(2-chloro-4-fluorophenyl)-3-methyl-8-pyridin-3-ylimidazo[4,5-c]quinolin-2-one

1-(2-chloro-4-fluorophenyl)-3-methyl-8-pyridin-3-ylimidazo[4,5-c]quinolin-2-one (PubChem CID 11978210) has the molecular formula C22H14ClFN4O and a molecular weight of 404.83 g/mol. Its IUPAC name is 1-(2-chloro-4-fluorophenyl)-3-methyl-8-pyridin-3-ylimidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name1-(2-chloro-4-fluorophenyl)-3-methyl-8-pyridin-3-ylimidazo[4,5-c]quinolin-2-one
PubChem CID11978210
Molecular FormulaC22H14ClFN4O
Molecular Weight404.83 g/mol
Exact Mass404.08
IUPAC Name1-(2-chloro-4-fluorophenyl)-3-methyl-8-pyridin-3-ylimidazo[4,5-c]quinolin-2-one
SMILESCn1c(=O)n(-c2ccc(F)cc2Cl)c2c3cc(-c4cccnc4)ccc3ncc21
InChIInChI=1S/C22H14ClFN4O/c1-27-20-12-26-18-6-4-13(14-3-2-8-25-11-14)9-16(18)21(20)28(22(27)29)19-7-5-15(24)10-17(19)23/h2-12H,1H3
InChIKeyWOVXBSCXHINAHO-UHFFFAOYSA-N
XLogP4.73
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.83
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(2-chloro-4-fluorophenyl)-3-methyl-8-pyridin-3-ylimidazo[4,5-c]quinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-fluorophenyl)-3-methyl-8-pyridin-3-ylimidazo[4,5-c]quinolin-2-one?
The IUPAC name of 1-(2-chloro-4-fluorophenyl)-3-methyl-8-pyridin-3-ylimidazo[4,5-c]quinolin-2-one (CID 11978210) is 1-(2-chloro-4-fluorophenyl)-3-methyl-8-pyridin-3-ylimidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 1-(2-chloro-4-fluorophenyl)-3-methyl-8-pyridin-3-ylimidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 1-(2-chloro-4-fluorophenyl)-3-methyl-8-pyridin-3-ylimidazo[4,5-c]quinolin-2-one is Cn1c(=O)n(-c2ccc(F)cc2Cl)c2c3cc(-c4cccnc4)ccc3ncc21.
What is the InChIKey of 1-(2-chloro-4-fluorophenyl)-3-methyl-8-pyridin-3-ylimidazo[4,5-c]quinolin-2-one?
The InChIKey is WOVXBSCXHINAHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14ClFN4O/c1-27-20-12-26-18-6-4-13(14-3-2-8-25-11-14)9-16(18)21(20)28(22(27)29)19-7-5-15(24)10-17(19)23/h2-12H,1H3.
What are the key properties of 1-(2-chloro-4-fluorophenyl)-3-methyl-8-pyridin-3-ylimidazo[4,5-c]quinolin-2-one?
1-(2-chloro-4-fluorophenyl)-3-methyl-8-pyridin-3-ylimidazo[4,5-c]quinolin-2-one has a molecular weight of 404.83 g/mol, XLogP of 4.73, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-fluorophenyl)-3-methyl-8-pyridin-3-ylimidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 11978210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).