4-(4-fluorophenyl)-6-(2-hydroxy-5-methylbenzoyl)-1-methyl-2-oxo-1,8-naphthyridine-3-carbonitrile

C24H16FN3O3 — CID 2102154

IUPAC4-(4-fluorophenyl)-6-(2-hydroxy-5-methylbenzoyl)-1-methyl-2-oxo-1,8-naphthyridine-3-carbonitrile
SMILESCc1ccc(O)c(C(=O)c2cnc3c(c2)c(-c2ccc(F)cc2)c(C#N)c(=O)n3C)c1
InChIInChI=1S/C24H16FN3O3/c1-13-3-8-20(29)17(9-13)22(30)15-10-18-21(14-4-6-16(25)7-5-14)19(11-26)24(31)28(2)23(18)27-12-15/h3-10,12,29H,1-2H3
InChIKeyJJYBHBGFJJKWKO-UHFFFAOYSA-N
MW413.41 g/mol
LogP3.86
Rot. Bonds3

About 4-(4-fluorophenyl)-6-(2-hydroxy-5-methylbenzoyl)-1-methyl-2-oxo-1,8-naphthyridine-3-carbonitrile

4-(4-fluorophenyl)-6-(2-hydroxy-5-methylbenzoyl)-1-methyl-2-oxo-1,8-naphthyridine-3-carbonitrile (PubChem CID 2102154) has the molecular formula C24H16FN3O3 and a molecular weight of 413.41 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-6-(2-hydroxy-5-methylbenzoyl)-1-methyl-2-oxo-1,8-naphthyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(4-fluorophenyl)-6-(2-hydroxy-5-methylbenzoyl)-1-methyl-2-oxo-1,8-naphthyridine-3-carbonitrile
PubChem CID2102154
Molecular FormulaC24H16FN3O3
Molecular Weight413.41 g/mol
Exact Mass413.12
IUPAC Name4-(4-fluorophenyl)-6-(2-hydroxy-5-methylbenzoyl)-1-methyl-2-oxo-1,8-naphthyridine-3-carbonitrile
SMILESCc1ccc(O)c(C(=O)c2cnc3c(c2)c(-c2ccc(F)cc2)c(C#N)c(=O)n3C)c1
InChIInChI=1S/C24H16FN3O3/c1-13-3-8-20(29)17(9-13)22(30)15-10-18-21(14-4-6-16(25)7-5-14)19(11-26)24(31)28(2)23(18)27-12-15/h3-10,12,29H,1-2H3
InChIKeyJJYBHBGFJJKWKO-UHFFFAOYSA-N
XLogP3.86
TPSA95.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.41
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(4-fluorophenyl)-6-(2-hydroxy-5-methylbenzoyl)-1-methyl-2-oxo-1,8-naphthyridine-3-carbonitrile 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-(4-fluorophenyl)-6-(2-hydroxy-5-methylbenzoyl)-1-methyl-2-oxo-1,8-naphthyridine-3-carbonitrile?
The IUPAC name of 4-(4-fluorophenyl)-6-(2-hydroxy-5-methylbenzoyl)-1-methyl-2-oxo-1,8-naphthyridine-3-carbonitrile (CID 2102154) is 4-(4-fluorophenyl)-6-(2-hydroxy-5-methylbenzoyl)-1-methyl-2-oxo-1,8-naphthyridine-3-carbonitrile.
What is the SMILES notation for 4-(4-fluorophenyl)-6-(2-hydroxy-5-methylbenzoyl)-1-methyl-2-oxo-1,8-naphthyridine-3-carbonitrile?
The canonical SMILES for 4-(4-fluorophenyl)-6-(2-hydroxy-5-methylbenzoyl)-1-methyl-2-oxo-1,8-naphthyridine-3-carbonitrile is Cc1ccc(O)c(C(=O)c2cnc3c(c2)c(-c2ccc(F)cc2)c(C#N)c(=O)n3C)c1.
What is the InChIKey of 4-(4-fluorophenyl)-6-(2-hydroxy-5-methylbenzoyl)-1-methyl-2-oxo-1,8-naphthyridine-3-carbonitrile?
The InChIKey is JJYBHBGFJJKWKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16FN3O3/c1-13-3-8-20(29)17(9-13)22(30)15-10-18-21(14-4-6-16(25)7-5-14)19(11-26)24(31)28(2)23(18)27-12-15/h3-10,12,29H,1-2H3.
What are the key properties of 4-(4-fluorophenyl)-6-(2-hydroxy-5-methylbenzoyl)-1-methyl-2-oxo-1,8-naphthyridine-3-carbonitrile?
4-(4-fluorophenyl)-6-(2-hydroxy-5-methylbenzoyl)-1-methyl-2-oxo-1,8-naphthyridine-3-carbonitrile has a molecular weight of 413.41 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-6-(2-hydroxy-5-methylbenzoyl)-1-methyl-2-oxo-1,8-naphthyridine-3-carbonitrile is sourced from PubChem (CID 2102154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).