3-[8-(4-chlorophenyl)-3-(2-hydroxyethyl)-2-oxoimidazo[4,5-c]quinolin-1-yl]benzonitrile

C25H17ClN4O2 — CID 134438093

IUPAC3-[8-(4-chlorophenyl)-3-(2-hydroxyethyl)-2-oxoimidazo[4,5-c]quinolin-1-yl]benzonitrile
SMILESN#Cc1cccc(-n2c(=O)n(CCO)c3cnc4ccc(-c5ccc(Cl)cc5)cc4c32)c1
InChIInChI=1S/C25H17ClN4O2/c26-19-7-4-17(5-8-19)18-6-9-22-21(13-18)24-23(15-28-22)29(10-11-31)25(32)30(24)20-3-1-2-16(12-20)14-27/h1-9,12-13,15,31H,10-11H2
InChIKeyAPOGJAYDSHBOQG-UHFFFAOYSA-N
MW440.89 g/mol
LogP4.52
Rot. Bonds4

About 3-[8-(4-chlorophenyl)-3-(2-hydroxyethyl)-2-oxoimidazo[4,5-c]quinolin-1-yl]benzonitrile

3-[8-(4-chlorophenyl)-3-(2-hydroxyethyl)-2-oxoimidazo[4,5-c]quinolin-1-yl]benzonitrile (PubChem CID 134438093) has the molecular formula C25H17ClN4O2 and a molecular weight of 440.89 g/mol. Its IUPAC name is 3-[8-(4-chlorophenyl)-3-(2-hydroxyethyl)-2-oxoimidazo[4,5-c]quinolin-1-yl]benzonitrile.

Molecular Properties

Compound Name3-[8-(4-chlorophenyl)-3-(2-hydroxyethyl)-2-oxoimidazo[4,5-c]quinolin-1-yl]benzonitrile
PubChem CID134438093
Molecular FormulaC25H17ClN4O2
Molecular Weight440.89 g/mol
Exact Mass440.10
IUPAC Name3-[8-(4-chlorophenyl)-3-(2-hydroxyethyl)-2-oxoimidazo[4,5-c]quinolin-1-yl]benzonitrile
SMILESN#Cc1cccc(-n2c(=O)n(CCO)c3cnc4ccc(-c5ccc(Cl)cc5)cc4c32)c1
InChIInChI=1S/C25H17ClN4O2/c26-19-7-4-17(5-8-19)18-6-9-22-21(13-18)24-23(15-28-22)29(10-11-31)25(32)30(24)20-3-1-2-16(12-20)14-27/h1-9,12-13,15,31H,10-11H2
InChIKeyAPOGJAYDSHBOQG-UHFFFAOYSA-N
XLogP4.52
TPSA83.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.89
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[8-(4-chlorophenyl)-2-oxo-3H-imidazo[4,5-c]quinolin-1-yl]benzonitrile
CID 134438330
5-[8-(4-chlorophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]benzonitrile
CID 134438118
4-[3-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-8-yl]benzonitrile
CID 127048030
3-[8-(4-chloro-3-methoxyphenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methylbenzonitrile
CID 134438375
4-[3-methyl-1-[4-(1-methylsulfonylcyclopropyl)phenyl]-2-oxoimidazo[4,5-c]quinolin-8-yl]benzonitrile
CID 71565711
2-[4-(3-ethyl-2-oxo-8-pyridin-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]-2-methylpropanenitrile
CID 11978438
8-(2-amino-1,3-benzothiazol-6-yl)-1-naphthalen-2-yl-3-propylimidazo[4,5-c]quinolin-2-one
CID 77106931
4-methyl-3-[3-methyl-2-oxo-8-(1H-pyrrol-2-yl)imidazo[4,5-c]quinolin-1-yl]benzonitrile
CID 134438022
5-[8-(4-chlorophenyl)-2-imino-3-methylimidazo[4,5-c]quinolin-1-yl]-4-methyl-2-(3-oxopiperazin-1-yl)benzonitrile
CID 146248982
5-[8-[6-(dimethylamino)-3-pyridinyl]-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]pyridine-2-carbonitrile
CID 57344183
3-[8-(3-aminophenyl)-2-imino-3-methylimidazo[4,5-c]quinolin-1-yl]-4-methylbenzonitrile
CID 146242878
8-[5-(2-fluoroethoxy)-6-methyl-3-pyridinyl]-3-methyl-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one
CID 71553672

Frequently Asked Questions

What is the IUPAC name of 3-[8-(4-chlorophenyl)-3-(2-hydroxyethyl)-2-oxoimidazo[4,5-c]quinolin-1-yl]benzonitrile?
The IUPAC name of 3-[8-(4-chlorophenyl)-3-(2-hydroxyethyl)-2-oxoimidazo[4,5-c]quinolin-1-yl]benzonitrile (CID 134438093) is 3-[8-(4-chlorophenyl)-3-(2-hydroxyethyl)-2-oxoimidazo[4,5-c]quinolin-1-yl]benzonitrile.
What is the SMILES notation for 3-[8-(4-chlorophenyl)-3-(2-hydroxyethyl)-2-oxoimidazo[4,5-c]quinolin-1-yl]benzonitrile?
The canonical SMILES for 3-[8-(4-chlorophenyl)-3-(2-hydroxyethyl)-2-oxoimidazo[4,5-c]quinolin-1-yl]benzonitrile is N#Cc1cccc(-n2c(=O)n(CCO)c3cnc4ccc(-c5ccc(Cl)cc5)cc4c32)c1.
What is the InChIKey of 3-[8-(4-chlorophenyl)-3-(2-hydroxyethyl)-2-oxoimidazo[4,5-c]quinolin-1-yl]benzonitrile?
The InChIKey is APOGJAYDSHBOQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17ClN4O2/c26-19-7-4-17(5-8-19)18-6-9-22-21(13-18)24-23(15-28-22)29(10-11-31)25(32)30(24)20-3-1-2-16(12-20)14-27/h1-9,12-13,15,31H,10-11H2.
What are the key properties of 3-[8-(4-chlorophenyl)-3-(2-hydroxyethyl)-2-oxoimidazo[4,5-c]quinolin-1-yl]benzonitrile?
3-[8-(4-chlorophenyl)-3-(2-hydroxyethyl)-2-oxoimidazo[4,5-c]quinolin-1-yl]benzonitrile has a molecular weight of 440.89 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[8-(4-chlorophenyl)-3-(2-hydroxyethyl)-2-oxoimidazo[4,5-c]quinolin-1-yl]benzonitrile is sourced from PubChem (CID 134438093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).