2-(hydroxymethyl)-1-methyl-4-oxo-5-phenylimidazo[4,5-c]quinoline-7-carbonitrile

C19H14N4O2 — CID 170551418

IUPAC2-(hydroxymethyl)-1-methyl-4-oxo-5-phenylimidazo[4,5-c]quinoline-7-carbonitrile
SMILESCn1c(CO)nc2c(=O)n(-c3ccccc3)c3cc(C#N)ccc3c21
InChIInChI=1S/C19H14N4O2/c1-22-16(11-24)21-17-18(22)14-8-7-12(10-20)9-15(14)23(19(17)25)13-5-3-2-4-6-13/h2-9,24H,11H2,1H3
InChIKeyHLMPOGMGVLMUON-UHFFFAOYSA-N
MW330.35 g/mol
LogP2.24
Rot. Bonds2

About 2-(hydroxymethyl)-1-methyl-4-oxo-5-phenylimidazo[4,5-c]quinoline-7-carbonitrile

2-(hydroxymethyl)-1-methyl-4-oxo-5-phenylimidazo[4,5-c]quinoline-7-carbonitrile (PubChem CID 170551418) has the molecular formula C19H14N4O2 and a molecular weight of 330.35 g/mol. Its IUPAC name is 2-(hydroxymethyl)-1-methyl-4-oxo-5-phenylimidazo[4,5-c]quinoline-7-carbonitrile.

Molecular Properties

Compound Name2-(hydroxymethyl)-1-methyl-4-oxo-5-phenylimidazo[4,5-c]quinoline-7-carbonitrile
PubChem CID170551418
Molecular FormulaC19H14N4O2
Molecular Weight330.35 g/mol
Exact Mass330.11
IUPAC Name2-(hydroxymethyl)-1-methyl-4-oxo-5-phenylimidazo[4,5-c]quinoline-7-carbonitrile
SMILESCn1c(CO)nc2c(=O)n(-c3ccccc3)c3cc(C#N)ccc3c21
InChIInChI=1S/C19H14N4O2/c1-22-16(11-24)21-17-18(22)14-8-7-12(10-20)9-15(14)23(19(17)25)13-5-3-2-4-6-13/h2-9,24H,11H2,1H3
InChIKeyHLMPOGMGVLMUON-UHFFFAOYSA-N
XLogP2.24
TPSA83.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(hydroxymethyl)-7-methoxy-1-methyl-5-phenylimidazo[4,5-c]quinolin-4-one
CID 170551504
7-chloro-2-(1,2-dihydroxyethyl)-1-methyl-5-phenylimidazo[4,5-c]quinolin-4-one
CID 170551416
7-chloro-2-(2-methoxyethylamino)-1-methyl-5-phenylimidazo[4,5-c]quinolin-4-one
CID 170551423
6-methyl-9-phenylcarbazole-2-carbonitrile
CID 129176191
6-amino-9-phenylcarbazole-2-carbonitrile
CID 147955073
7-chloro-2-[(4-methoxyphenyl)methyl]-1-methyl-5-pyridin-3-ylimidazo[4,5-c]quinolin-4-one
CID 171514511
5-amino-9-phenylcarbazole-2-carbonitrile
CID 163682260
7-tert-butyl-9-phenylcarbazole-3-carbonitrile
CID 164818835
4-methyl-5-oxo-2-phenylpyrazolo[1,5-a]quinazoline-8-carbonitrile
CID 140671591
5,12-diphenyl-9-(5-phenylindolo[3,2-c]carbazol-12-yl)indolo[2,3-g]carbazole-3-carbonitrile
CID 134598027
7-[(7-cyano-9-phenylcarbazol-2-yl)-phenylphosphanyl]-9-phenylcarbazole-2-carbonitrile
CID 134602358
6-(4-carbazol-9-ylphenyl)-9-phenylcarbazole-2-carbonitrile
CID 126690271

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-1-methyl-4-oxo-5-phenylimidazo[4,5-c]quinoline-7-carbonitrile?
The IUPAC name of 2-(hydroxymethyl)-1-methyl-4-oxo-5-phenylimidazo[4,5-c]quinoline-7-carbonitrile (CID 170551418) is 2-(hydroxymethyl)-1-methyl-4-oxo-5-phenylimidazo[4,5-c]quinoline-7-carbonitrile.
What is the SMILES notation for 2-(hydroxymethyl)-1-methyl-4-oxo-5-phenylimidazo[4,5-c]quinoline-7-carbonitrile?
The canonical SMILES for 2-(hydroxymethyl)-1-methyl-4-oxo-5-phenylimidazo[4,5-c]quinoline-7-carbonitrile is Cn1c(CO)nc2c(=O)n(-c3ccccc3)c3cc(C#N)ccc3c21.
What is the InChIKey of 2-(hydroxymethyl)-1-methyl-4-oxo-5-phenylimidazo[4,5-c]quinoline-7-carbonitrile?
The InChIKey is HLMPOGMGVLMUON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O2/c1-22-16(11-24)21-17-18(22)14-8-7-12(10-20)9-15(14)23(19(17)25)13-5-3-2-4-6-13/h2-9,24H,11H2,1H3.
What are the key properties of 2-(hydroxymethyl)-1-methyl-4-oxo-5-phenylimidazo[4,5-c]quinoline-7-carbonitrile?
2-(hydroxymethyl)-1-methyl-4-oxo-5-phenylimidazo[4,5-c]quinoline-7-carbonitrile has a molecular weight of 330.35 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-1-methyl-4-oxo-5-phenylimidazo[4,5-c]quinoline-7-carbonitrile is sourced from PubChem (CID 170551418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).