7-[(3,4-difluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-1,5-naphthyridine-3-carboxylic acid

C17H12F2N2O4 — CID 69481064

IUPAC7-[(3,4-difluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-1,5-naphthyridine-3-carboxylic acid
SMILESCn1c(=O)c(C(=O)O)c(O)c2ncc(Cc3ccc(F)c(F)c3)cc21
InChIInChI=1S/C17H12F2N2O4/c1-21-12-6-9(4-8-2-3-10(18)11(19)5-8)7-20-14(12)15(22)13(16(21)23)17(24)25/h2-3,5-7,22H,4H2,1H3,(H,24,25)
InChIKeyFLKGGHCVDIWKNS-UHFFFAOYSA-N
MW346.29 g/mol
LogP2.21
Rot. Bonds3

About 7-[(3,4-difluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-1,5-naphthyridine-3-carboxylic acid

7-[(3,4-difluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-1,5-naphthyridine-3-carboxylic acid (PubChem CID 69481064) has the molecular formula C17H12F2N2O4 and a molecular weight of 346.29 g/mol. Its IUPAC name is 7-[(3,4-difluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-1,5-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name7-[(3,4-difluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-1,5-naphthyridine-3-carboxylic acid
PubChem CID69481064
Molecular FormulaC17H12F2N2O4
Molecular Weight346.29 g/mol
Exact Mass346.08
IUPAC Name7-[(3,4-difluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-1,5-naphthyridine-3-carboxylic acid
SMILESCn1c(=O)c(C(=O)O)c(O)c2ncc(Cc3ccc(F)c(F)c3)cc21
InChIInChI=1S/C17H12F2N2O4/c1-21-12-6-9(4-8-2-3-10(18)11(19)5-8)7-20-14(12)15(22)13(16(21)23)17(24)25/h2-3,5-7,22H,4H2,1H3,(H,24,25)
InChIKeyFLKGGHCVDIWKNS-UHFFFAOYSA-N
XLogP2.21
TPSA92.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.29
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 7-[(3,4-difluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-1,5-naphthyridine-3-carboxylic acid 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 7-[(3,4-difluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-1,5-naphthyridine-3-carboxylic acid?
The IUPAC name of 7-[(3,4-difluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-1,5-naphthyridine-3-carboxylic acid (CID 69481064) is 7-[(3,4-difluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-1,5-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 7-[(3,4-difluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-1,5-naphthyridine-3-carboxylic acid?
The canonical SMILES for 7-[(3,4-difluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-1,5-naphthyridine-3-carboxylic acid is Cn1c(=O)c(C(=O)O)c(O)c2ncc(Cc3ccc(F)c(F)c3)cc21.
What is the InChIKey of 7-[(3,4-difluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-1,5-naphthyridine-3-carboxylic acid?
The InChIKey is FLKGGHCVDIWKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F2N2O4/c1-21-12-6-9(4-8-2-3-10(18)11(19)5-8)7-20-14(12)15(22)13(16(21)23)17(24)25/h2-3,5-7,22H,4H2,1H3,(H,24,25).
What are the key properties of 7-[(3,4-difluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-1,5-naphthyridine-3-carboxylic acid?
7-[(3,4-difluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-1,5-naphthyridine-3-carboxylic acid has a molecular weight of 346.29 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3,4-difluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-1,5-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 69481064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).