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

C24H16FN5O2 — CID 56847584

IUPAC3-fluoro-4-(7-methoxy-3-methyl-2-oxo-8-pyridin-3-ylimidazo[4,5-c]quinolin-1-yl)benzonitrile
SMILESCOc1cc2ncc3c(c2cc1-c1cccnc1)n(-c1ccc(C#N)cc1F)c(=O)n3C
InChIInChI=1S/C24H16FN5O2/c1-29-21-13-28-19-10-22(32-2)16(15-4-3-7-27-12-15)9-17(19)23(21)30(24(29)31)20-6-5-14(11-26)8-18(20)25/h3-10,12-13H,1-2H3
InChIKeyFQOXNSSYLILHMC-UHFFFAOYSA-N
MW425.42 g/mol
LogP3.96
Rot. Bonds3

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

3-fluoro-4-(7-methoxy-3-methyl-2-oxo-8-pyridin-3-ylimidazo[4,5-c]quinolin-1-yl)benzonitrile (PubChem CID 56847584) has the molecular formula C24H16FN5O2 and a molecular weight of 425.42 g/mol. Its IUPAC name is 3-fluoro-4-(7-methoxy-3-methyl-2-oxo-8-pyridin-3-ylimidazo[4,5-c]quinolin-1-yl)benzonitrile.

Molecular Properties

Compound Name3-fluoro-4-(7-methoxy-3-methyl-2-oxo-8-pyridin-3-ylimidazo[4,5-c]quinolin-1-yl)benzonitrile
PubChem CID56847584
Molecular FormulaC24H16FN5O2
Molecular Weight425.42 g/mol
Exact Mass425.13
IUPAC Name3-fluoro-4-(7-methoxy-3-methyl-2-oxo-8-pyridin-3-ylimidazo[4,5-c]quinolin-1-yl)benzonitrile
SMILESCOc1cc2ncc3c(c2cc1-c1cccnc1)n(-c1ccc(C#N)cc1F)c(=O)n3C
InChIInChI=1S/C24H16FN5O2/c1-29-21-13-28-19-10-22(32-2)16(15-4-3-7-27-12-15)9-17(19)23(21)30(24(29)31)20-6-5-14(11-26)8-18(20)25/h3-10,12-13H,1-2H3
InChIKeyFQOXNSSYLILHMC-UHFFFAOYSA-N
XLogP3.96
TPSA85.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.42
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-fluoro-4-(7-methoxy-3-methyl-2-oxo-8-pyridin-3-ylimidazo[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 3-fluoro-4-(7-methoxy-3-methyl-2-oxo-8-pyridin-3-ylimidazo[4,5-c]quinolin-1-yl)benzonitrile?
The IUPAC name of 3-fluoro-4-(7-methoxy-3-methyl-2-oxo-8-pyridin-3-ylimidazo[4,5-c]quinolin-1-yl)benzonitrile (CID 56847584) is 3-fluoro-4-(7-methoxy-3-methyl-2-oxo-8-pyridin-3-ylimidazo[4,5-c]quinolin-1-yl)benzonitrile.
What is the SMILES notation for 3-fluoro-4-(7-methoxy-3-methyl-2-oxo-8-pyridin-3-ylimidazo[4,5-c]quinolin-1-yl)benzonitrile?
The canonical SMILES for 3-fluoro-4-(7-methoxy-3-methyl-2-oxo-8-pyridin-3-ylimidazo[4,5-c]quinolin-1-yl)benzonitrile is COc1cc2ncc3c(c2cc1-c1cccnc1)n(-c1ccc(C#N)cc1F)c(=O)n3C.
What is the InChIKey of 3-fluoro-4-(7-methoxy-3-methyl-2-oxo-8-pyridin-3-ylimidazo[4,5-c]quinolin-1-yl)benzonitrile?
The InChIKey is FQOXNSSYLILHMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16FN5O2/c1-29-21-13-28-19-10-22(32-2)16(15-4-3-7-27-12-15)9-17(19)23(21)30(24(29)31)20-6-5-14(11-26)8-18(20)25/h3-10,12-13H,1-2H3.
What are the key properties of 3-fluoro-4-(7-methoxy-3-methyl-2-oxo-8-pyridin-3-ylimidazo[4,5-c]quinolin-1-yl)benzonitrile?
3-fluoro-4-(7-methoxy-3-methyl-2-oxo-8-pyridin-3-ylimidazo[4,5-c]quinolin-1-yl)benzonitrile has a molecular weight of 425.42 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(7-methoxy-3-methyl-2-oxo-8-pyridin-3-ylimidazo[4,5-c]quinolin-1-yl)benzonitrile is sourced from PubChem (CID 56847584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).