4-(7-methoxy-3-methyl-2-oxo-8-phenylmethoxyimidazo[4,5-c]quinolin-1-yl)benzonitrile

C26H20N4O3 — CID 56847276

IUPAC4-(7-methoxy-3-methyl-2-oxo-8-phenylmethoxyimidazo[4,5-c]quinolin-1-yl)benzonitrile
SMILESCOc1cc2ncc3c(c2cc1OCc1ccccc1)n(-c1ccc(C#N)cc1)c(=O)n3C
InChIInChI=1S/C26H20N4O3/c1-29-22-15-28-21-13-23(32-2)24(33-16-18-6-4-3-5-7-18)12-20(21)25(22)30(26(29)31)19-10-8-17(14-27)9-11-19/h3-13,15H,16H2,1-2H3
InChIKeyKCZICOGXDOARMX-UHFFFAOYSA-N
MW436.47 g/mol
LogP4.34
Rot. Bonds5

About 4-(7-methoxy-3-methyl-2-oxo-8-phenylmethoxyimidazo[4,5-c]quinolin-1-yl)benzonitrile

4-(7-methoxy-3-methyl-2-oxo-8-phenylmethoxyimidazo[4,5-c]quinolin-1-yl)benzonitrile (PubChem CID 56847276) has the molecular formula C26H20N4O3 and a molecular weight of 436.47 g/mol. Its IUPAC name is 4-(7-methoxy-3-methyl-2-oxo-8-phenylmethoxyimidazo[4,5-c]quinolin-1-yl)benzonitrile.

Molecular Properties

Compound Name4-(7-methoxy-3-methyl-2-oxo-8-phenylmethoxyimidazo[4,5-c]quinolin-1-yl)benzonitrile
PubChem CID56847276
Molecular FormulaC26H20N4O3
Molecular Weight436.47 g/mol
Exact Mass436.15
IUPAC Name4-(7-methoxy-3-methyl-2-oxo-8-phenylmethoxyimidazo[4,5-c]quinolin-1-yl)benzonitrile
SMILESCOc1cc2ncc3c(c2cc1OCc1ccccc1)n(-c1ccc(C#N)cc1)c(=O)n3C
InChIInChI=1S/C26H20N4O3/c1-29-22-15-28-21-13-23(32-2)24(33-16-18-6-4-3-5-7-18)12-20(21)25(22)30(26(29)31)19-10-8-17(14-27)9-11-19/h3-13,15H,16H2,1-2H3
InChIKeyKCZICOGXDOARMX-UHFFFAOYSA-N
XLogP4.34
TPSA82.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.47
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-(7-methoxy-3-methyl-2-oxo-8-phenylmethoxyimidazo[4,5-c]quinolin-1-yl)benzonitrile 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 4-(7-methoxy-3-methyl-2-oxo-8-phenylmethoxyimidazo[4,5-c]quinolin-1-yl)benzonitrile?
The IUPAC name of 4-(7-methoxy-3-methyl-2-oxo-8-phenylmethoxyimidazo[4,5-c]quinolin-1-yl)benzonitrile (CID 56847276) is 4-(7-methoxy-3-methyl-2-oxo-8-phenylmethoxyimidazo[4,5-c]quinolin-1-yl)benzonitrile.
What is the SMILES notation for 4-(7-methoxy-3-methyl-2-oxo-8-phenylmethoxyimidazo[4,5-c]quinolin-1-yl)benzonitrile?
The canonical SMILES for 4-(7-methoxy-3-methyl-2-oxo-8-phenylmethoxyimidazo[4,5-c]quinolin-1-yl)benzonitrile is COc1cc2ncc3c(c2cc1OCc1ccccc1)n(-c1ccc(C#N)cc1)c(=O)n3C.
What is the InChIKey of 4-(7-methoxy-3-methyl-2-oxo-8-phenylmethoxyimidazo[4,5-c]quinolin-1-yl)benzonitrile?
The InChIKey is KCZICOGXDOARMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N4O3/c1-29-22-15-28-21-13-23(32-2)24(33-16-18-6-4-3-5-7-18)12-20(21)25(22)30(26(29)31)19-10-8-17(14-27)9-11-19/h3-13,15H,16H2,1-2H3.
What are the key properties of 4-(7-methoxy-3-methyl-2-oxo-8-phenylmethoxyimidazo[4,5-c]quinolin-1-yl)benzonitrile?
4-(7-methoxy-3-methyl-2-oxo-8-phenylmethoxyimidazo[4,5-c]quinolin-1-yl)benzonitrile has a molecular weight of 436.47 g/mol, XLogP of 4.34, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-methoxy-3-methyl-2-oxo-8-phenylmethoxyimidazo[4,5-c]quinolin-1-yl)benzonitrile is sourced from PubChem (CID 56847276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).