4-methyl-3-[3-methyl-2-oxo-8-(1H-pyrrol-2-yl)imidazo[4,5-c]quinolin-1-yl]benzonitrile

C23H17N5O — CID 134438022

IUPAC4-methyl-3-[3-methyl-2-oxo-8-(1H-pyrrol-2-yl)imidazo[4,5-c]quinolin-1-yl]benzonitrile
SMILESCc1ccc(C#N)cc1-n1c(=O)n(C)c2cnc3ccc(-c4ccc[nH]4)cc3c21
InChIInChI=1S/C23H17N5O/c1-14-5-6-15(12-24)10-20(14)28-22-17-11-16(18-4-3-9-25-18)7-8-19(17)26-13-21(22)27(2)23(28)29/h3-11,13,25H,1-2H3
InChIKeyBAGWMDPEQZNSBH-UHFFFAOYSA-N
MW379.42 g/mol
LogP4.05
Rot. Bonds2

About 4-methyl-3-[3-methyl-2-oxo-8-(1H-pyrrol-2-yl)imidazo[4,5-c]quinolin-1-yl]benzonitrile

4-methyl-3-[3-methyl-2-oxo-8-(1H-pyrrol-2-yl)imidazo[4,5-c]quinolin-1-yl]benzonitrile (PubChem CID 134438022) has the molecular formula C23H17N5O and a molecular weight of 379.42 g/mol. Its IUPAC name is 4-methyl-3-[3-methyl-2-oxo-8-(1H-pyrrol-2-yl)imidazo[4,5-c]quinolin-1-yl]benzonitrile.

Molecular Properties

Compound Name4-methyl-3-[3-methyl-2-oxo-8-(1H-pyrrol-2-yl)imidazo[4,5-c]quinolin-1-yl]benzonitrile
PubChem CID134438022
Molecular FormulaC23H17N5O
Molecular Weight379.42 g/mol
Exact Mass379.14
IUPAC Name4-methyl-3-[3-methyl-2-oxo-8-(1H-pyrrol-2-yl)imidazo[4,5-c]quinolin-1-yl]benzonitrile
SMILESCc1ccc(C#N)cc1-n1c(=O)n(C)c2cnc3ccc(-c4ccc[nH]4)cc3c21
InChIInChI=1S/C23H17N5O/c1-14-5-6-15(12-24)10-20(14)28-22-17-11-16(18-4-3-9-25-18)7-8-19(17)26-13-21(22)27(2)23(28)29/h3-11,13,25H,1-2H3
InChIKeyBAGWMDPEQZNSBH-UHFFFAOYSA-N
XLogP4.05
TPSA79.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[8-(4-chloro-3-methoxyphenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-4-methylbenzonitrile
CID 134438375
3-[8-(3-aminophenyl)-2-imino-3-methylimidazo[4,5-c]quinolin-1-yl]-4-methylbenzonitrile
CID 146242878
4-[3-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-8-yl]benzonitrile
CID 127048030
4-[3-methyl-1-[4-(1-methylsulfonylcyclopropyl)phenyl]-2-oxoimidazo[4,5-c]quinolin-8-yl]benzonitrile
CID 71565711
5-[1-(1,3-dimethylpyrazol-4-yl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]-2-methoxypyridine-3-carbonitrile
CID 59619935
1-(2-ethylphenyl)-3-methyl-8-pyridin-3-ylimidazo[4,5-c]quinolin-2-one
CID 11978091
methyl N-[5-[1-(2,3-dimethylphenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]carbamate
CID 71554021
5-[8-[6-(dimethylamino)-3-pyridinyl]-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]pyridine-2-carbonitrile
CID 57344183
8-bromo-1-(1,4-dimethylpyrazol-5-yl)-3-methylimidazo[4,5-c]quinolin-2-one
CID 59619976
3-[8-(4-chlorophenyl)-3-(2-hydroxyethyl)-2-oxoimidazo[4,5-c]quinolin-1-yl]benzonitrile
CID 134438093
1-(1,3-dimethylpyrazol-4-yl)-8-[6-(2-hydroxyethylamino)-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one
CID 59619625
5-[8-(4-chlorophenyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]benzonitrile
CID 134438118

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[3-methyl-2-oxo-8-(1H-pyrrol-2-yl)imidazo[4,5-c]quinolin-1-yl]benzonitrile?
The IUPAC name of 4-methyl-3-[3-methyl-2-oxo-8-(1H-pyrrol-2-yl)imidazo[4,5-c]quinolin-1-yl]benzonitrile (CID 134438022) is 4-methyl-3-[3-methyl-2-oxo-8-(1H-pyrrol-2-yl)imidazo[4,5-c]quinolin-1-yl]benzonitrile.
What is the SMILES notation for 4-methyl-3-[3-methyl-2-oxo-8-(1H-pyrrol-2-yl)imidazo[4,5-c]quinolin-1-yl]benzonitrile?
The canonical SMILES for 4-methyl-3-[3-methyl-2-oxo-8-(1H-pyrrol-2-yl)imidazo[4,5-c]quinolin-1-yl]benzonitrile is Cc1ccc(C#N)cc1-n1c(=O)n(C)c2cnc3ccc(-c4ccc[nH]4)cc3c21.
What is the InChIKey of 4-methyl-3-[3-methyl-2-oxo-8-(1H-pyrrol-2-yl)imidazo[4,5-c]quinolin-1-yl]benzonitrile?
The InChIKey is BAGWMDPEQZNSBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N5O/c1-14-5-6-15(12-24)10-20(14)28-22-17-11-16(18-4-3-9-25-18)7-8-19(17)26-13-21(22)27(2)23(28)29/h3-11,13,25H,1-2H3.
What are the key properties of 4-methyl-3-[3-methyl-2-oxo-8-(1H-pyrrol-2-yl)imidazo[4,5-c]quinolin-1-yl]benzonitrile?
4-methyl-3-[3-methyl-2-oxo-8-(1H-pyrrol-2-yl)imidazo[4,5-c]quinolin-1-yl]benzonitrile has a molecular weight of 379.42 g/mol, XLogP of 4.05, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[3-methyl-2-oxo-8-(1H-pyrrol-2-yl)imidazo[4,5-c]quinolin-1-yl]benzonitrile is sourced from PubChem (CID 134438022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).