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

C25H17ClN6O — CID 11979036

IUPAC1-(3-chloro-4-imidazol-1-ylphenyl)-3-methyl-8-pyridin-3-ylimidazo[4,5-c]quinolin-2-one
SMILESCn1c(=O)n(-c2ccc(-n3ccnc3)c(Cl)c2)c2c3cc(-c4cccnc4)ccc3ncc21
InChIInChI=1S/C25H17ClN6O/c1-30-23-14-29-21-6-4-16(17-3-2-8-27-13-17)11-19(21)24(23)32(25(30)33)18-5-7-22(20(26)12-18)31-10-9-28-15-31/h2-15H,1H3
InChIKeyDWARKSWXSWQIFZ-UHFFFAOYSA-N
MW452.91 g/mol
LogP4.78
Rot. Bonds3

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

1-(3-chloro-4-imidazol-1-ylphenyl)-3-methyl-8-pyridin-3-ylimidazo[4,5-c]quinolin-2-one (PubChem CID 11979036) has the molecular formula C25H17ClN6O and a molecular weight of 452.91 g/mol. Its IUPAC name is 1-(3-chloro-4-imidazol-1-ylphenyl)-3-methyl-8-pyridin-3-ylimidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name1-(3-chloro-4-imidazol-1-ylphenyl)-3-methyl-8-pyridin-3-ylimidazo[4,5-c]quinolin-2-one
PubChem CID11979036
Molecular FormulaC25H17ClN6O
Molecular Weight452.91 g/mol
Exact Mass452.12
IUPAC Name1-(3-chloro-4-imidazol-1-ylphenyl)-3-methyl-8-pyridin-3-ylimidazo[4,5-c]quinolin-2-one
SMILESCn1c(=O)n(-c2ccc(-n3ccnc3)c(Cl)c2)c2c3cc(-c4cccnc4)ccc3ncc21
InChIInChI=1S/C25H17ClN6O/c1-30-23-14-29-21-6-4-16(17-3-2-8-27-13-17)11-19(21)24(23)32(25(30)33)18-5-7-22(20(26)12-18)31-10-9-28-15-31/h2-15H,1H3
InChIKeyDWARKSWXSWQIFZ-UHFFFAOYSA-N
XLogP4.78
TPSA70.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.91
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

1-[2-chloro-4-(4-methylpiperazin-1-yl)phenyl]-3-methyl-8-pyridin-3-ylimidazo[4,5-c]quinolin-2-one
CID 11978553
1-(3-chloro-4-imidazol-1-ylphenyl)-3-methyl-8-pyridin-3-yl-2H-imidazo[4,5-c]quinoline
CID 141195629
1-(2-ethylphenyl)-3-methyl-8-pyridin-3-ylimidazo[4,5-c]quinolin-2-one
CID 11978091
N-methyl-N-[4-(3-methyl-2-oxo-8-pyridin-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]ethanesulfonamide
CID 11978436
1-(2-ethylphenyl)-3-methyl-8-pyridin-3-ylimidazo[4,5-c]quinolin-2-one;4-methylbenzenesulfonic acid
CID 87185357
1-[4-[bis(2-methoxyethyl)amino]phenyl]-3-methyl-8-pyridin-3-ylimidazo[4,5-c]quinolin-2-one;4-methylbenzenesulfonic acid
CID 87184980
2-[1-butoxycarbonyl-3-[4-(3-methyl-2-oxo-8-pyridin-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]azetidin-3-yl]acetic acid
CID 90422218
8-(6-methoxy-3-pyridinyl)-3-methyl-1-[4-pyrazol-1-yl-3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one
CID 11977654
1-(3,3-difluoro-1-methylpiperidin-4-yl)-3-methyl-8-pyridin-3-ylimidazo[4,5-c]quinolin-2-one
CID 167528112
1-[(4S)-3,3-difluoro-1-methylpiperidin-4-yl]-3-methyl-8-pyridin-3-ylimidazo[4,5-c]quinolin-2-one
CID 167528103
2-[4-(3-ethyl-2-oxo-8-pyridin-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]-2-methylpropanenitrile
CID 11978438
3-[(4-methoxyphenyl)methyl]-1-methyl-8-pyridin-3-ylimidazo[4,5-c]quinolin-2-one
CID 155551609

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-imidazol-1-ylphenyl)-3-methyl-8-pyridin-3-ylimidazo[4,5-c]quinolin-2-one?
The IUPAC name of 1-(3-chloro-4-imidazol-1-ylphenyl)-3-methyl-8-pyridin-3-ylimidazo[4,5-c]quinolin-2-one (CID 11979036) is 1-(3-chloro-4-imidazol-1-ylphenyl)-3-methyl-8-pyridin-3-ylimidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 1-(3-chloro-4-imidazol-1-ylphenyl)-3-methyl-8-pyridin-3-ylimidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 1-(3-chloro-4-imidazol-1-ylphenyl)-3-methyl-8-pyridin-3-ylimidazo[4,5-c]quinolin-2-one is Cn1c(=O)n(-c2ccc(-n3ccnc3)c(Cl)c2)c2c3cc(-c4cccnc4)ccc3ncc21.
What is the InChIKey of 1-(3-chloro-4-imidazol-1-ylphenyl)-3-methyl-8-pyridin-3-ylimidazo[4,5-c]quinolin-2-one?
The InChIKey is DWARKSWXSWQIFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17ClN6O/c1-30-23-14-29-21-6-4-16(17-3-2-8-27-13-17)11-19(21)24(23)32(25(30)33)18-5-7-22(20(26)12-18)31-10-9-28-15-31/h2-15H,1H3.
What are the key properties of 1-(3-chloro-4-imidazol-1-ylphenyl)-3-methyl-8-pyridin-3-ylimidazo[4,5-c]quinolin-2-one?
1-(3-chloro-4-imidazol-1-ylphenyl)-3-methyl-8-pyridin-3-ylimidazo[4,5-c]quinolin-2-one has a molecular weight of 452.91 g/mol, XLogP of 4.78, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-imidazol-1-ylphenyl)-3-methyl-8-pyridin-3-ylimidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 11979036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).