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

C19H16F2N2O4 — CID 58882913

IUPACethyl 7-[(3,4-difluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-1,5-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1c(O)c2ncc(Cc3ccc(F)c(F)c3)cc2n(C)c1=O
InChIInChI=1S/C19H16F2N2O4/c1-3-27-19(26)15-17(24)16-14(23(2)18(15)25)8-11(9-22-16)6-10-4-5-12(20)13(21)7-10/h4-5,7-9,24H,3,6H2,1-2H3
InChIKeyJAJWZSNPZZSRRC-UHFFFAOYSA-N
MW374.34 g/mol
LogP2.68
Rot. Bonds4

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

ethyl 7-[(3,4-difluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-1,5-naphthyridine-3-carboxylate (PubChem CID 58882913) has the molecular formula C19H16F2N2O4 and a molecular weight of 374.34 g/mol. Its IUPAC name is ethyl 7-[(3,4-difluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-1,5-naphthyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 7-[(3,4-difluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-1,5-naphthyridine-3-carboxylate
PubChem CID58882913
Molecular FormulaC19H16F2N2O4
Molecular Weight374.34 g/mol
Exact Mass374.11
IUPAC Nameethyl 7-[(3,4-difluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-1,5-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1c(O)c2ncc(Cc3ccc(F)c(F)c3)cc2n(C)c1=O
InChIInChI=1S/C19H16F2N2O4/c1-3-27-19(26)15-17(24)16-14(23(2)18(15)25)8-11(9-22-16)6-10-4-5-12(20)13(21)7-10/h4-5,7-9,24H,3,6H2,1-2H3
InChIKeyJAJWZSNPZZSRRC-UHFFFAOYSA-N
XLogP2.68
TPSA81.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.34
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 7-[(3,4-difluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-1,5-naphthyridine-3-carboxylate 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 ethyl 7-[(3,4-difluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-1,5-naphthyridine-3-carboxylate?
The IUPAC name of ethyl 7-[(3,4-difluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-1,5-naphthyridine-3-carboxylate (CID 58882913) is ethyl 7-[(3,4-difluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-1,5-naphthyridine-3-carboxylate.
What is the SMILES notation for ethyl 7-[(3,4-difluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-1,5-naphthyridine-3-carboxylate?
The canonical SMILES for ethyl 7-[(3,4-difluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-1,5-naphthyridine-3-carboxylate is CCOC(=O)c1c(O)c2ncc(Cc3ccc(F)c(F)c3)cc2n(C)c1=O.
What is the InChIKey of ethyl 7-[(3,4-difluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-1,5-naphthyridine-3-carboxylate?
The InChIKey is JAJWZSNPZZSRRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N2O4/c1-3-27-19(26)15-17(24)16-14(23(2)18(15)25)8-11(9-22-16)6-10-4-5-12(20)13(21)7-10/h4-5,7-9,24H,3,6H2,1-2H3.
What are the key properties of ethyl 7-[(3,4-difluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-1,5-naphthyridine-3-carboxylate?
ethyl 7-[(3,4-difluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-1,5-naphthyridine-3-carboxylate has a molecular weight of 374.34 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-[(3,4-difluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-1,5-naphthyridine-3-carboxylate is sourced from PubChem (CID 58882913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).