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

C24H16FN3O4 — CID 2440293

IUPAC4-(4-fluorophenyl)-6-(2-hydroxy-5-methoxybenzoyl)-1-methyl-2-oxo-1,8-naphthyridine-3-carbonitrile
SMILESCOc1ccc(O)c(C(=O)c2cnc3c(c2)c(-c2ccc(F)cc2)c(C#N)c(=O)n3C)c1
InChIInChI=1S/C24H16FN3O4/c1-28-23-18(21(19(11-26)24(28)31)13-3-5-15(25)6-4-13)9-14(12-27-23)22(30)17-10-16(32-2)7-8-20(17)29/h3-10,12,29H,1-2H3
InChIKeyGKWYFHWVBFWSJS-UHFFFAOYSA-N
MW429.41 g/mol
LogP3.56
Rot. Bonds4

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

4-(4-fluorophenyl)-6-(2-hydroxy-5-methoxybenzoyl)-1-methyl-2-oxo-1,8-naphthyridine-3-carbonitrile (PubChem CID 2440293) has the molecular formula C24H16FN3O4 and a molecular weight of 429.41 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-6-(2-hydroxy-5-methoxybenzoyl)-1-methyl-2-oxo-1,8-naphthyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(4-fluorophenyl)-6-(2-hydroxy-5-methoxybenzoyl)-1-methyl-2-oxo-1,8-naphthyridine-3-carbonitrile
PubChem CID2440293
Molecular FormulaC24H16FN3O4
Molecular Weight429.41 g/mol
Exact Mass429.11
IUPAC Name4-(4-fluorophenyl)-6-(2-hydroxy-5-methoxybenzoyl)-1-methyl-2-oxo-1,8-naphthyridine-3-carbonitrile
SMILESCOc1ccc(O)c(C(=O)c2cnc3c(c2)c(-c2ccc(F)cc2)c(C#N)c(=O)n3C)c1
InChIInChI=1S/C24H16FN3O4/c1-28-23-18(21(19(11-26)24(28)31)13-3-5-15(25)6-4-13)9-14(12-27-23)22(30)17-10-16(32-2)7-8-20(17)29/h3-10,12,29H,1-2H3
InChIKeyGKWYFHWVBFWSJS-UHFFFAOYSA-N
XLogP3.56
TPSA105.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.41
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-6-(2-hydroxy-5-methoxybenzoyl)-1-methyl-2-oxo-1,8-naphthyridine-3-carbonitrile?
The IUPAC name of 4-(4-fluorophenyl)-6-(2-hydroxy-5-methoxybenzoyl)-1-methyl-2-oxo-1,8-naphthyridine-3-carbonitrile (CID 2440293) is 4-(4-fluorophenyl)-6-(2-hydroxy-5-methoxybenzoyl)-1-methyl-2-oxo-1,8-naphthyridine-3-carbonitrile.
What is the SMILES notation for 4-(4-fluorophenyl)-6-(2-hydroxy-5-methoxybenzoyl)-1-methyl-2-oxo-1,8-naphthyridine-3-carbonitrile?
The canonical SMILES for 4-(4-fluorophenyl)-6-(2-hydroxy-5-methoxybenzoyl)-1-methyl-2-oxo-1,8-naphthyridine-3-carbonitrile is COc1ccc(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-methoxybenzoyl)-1-methyl-2-oxo-1,8-naphthyridine-3-carbonitrile?
The InChIKey is GKWYFHWVBFWSJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16FN3O4/c1-28-23-18(21(19(11-26)24(28)31)13-3-5-15(25)6-4-13)9-14(12-27-23)22(30)17-10-16(32-2)7-8-20(17)29/h3-10,12,29H,1-2H3.
What are the key properties of 4-(4-fluorophenyl)-6-(2-hydroxy-5-methoxybenzoyl)-1-methyl-2-oxo-1,8-naphthyridine-3-carbonitrile?
4-(4-fluorophenyl)-6-(2-hydroxy-5-methoxybenzoyl)-1-methyl-2-oxo-1,8-naphthyridine-3-carbonitrile has a molecular weight of 429.41 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-6-(2-hydroxy-5-methoxybenzoyl)-1-methyl-2-oxo-1,8-naphthyridine-3-carbonitrile is sourced from PubChem (CID 2440293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).