7-benzyl-1-ethyl-4-oxo-1,8-naphthyridine-3-carboxylic acid

C18H16N2O3 — CID 2137

IUPAC7-benzyl-1-ethyl-4-oxo-1,8-naphthyridine-3-carboxylic acid
SMILESCCn1cc(C(=O)O)c(=O)c2ccc(Cc3ccccc3)nc21
InChIInChI=1S/C18H16N2O3/c1-2-20-11-15(18(22)23)16(21)14-9-8-13(19-17(14)20)10-12-6-4-3-5-7-12/h3-9,11H,2,10H2,1H3,(H,22,23)
InChIKeyWHHHJDGNBVQNAU-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.71
Rot. Bonds4

About 7-benzyl-1-ethyl-4-oxo-1,8-naphthyridine-3-carboxylic acid

7-benzyl-1-ethyl-4-oxo-1,8-naphthyridine-3-carboxylic acid (PubChem CID 2137) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is 7-benzyl-1-ethyl-4-oxo-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name7-benzyl-1-ethyl-4-oxo-1,8-naphthyridine-3-carboxylic acid
PubChem CID2137
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Name7-benzyl-1-ethyl-4-oxo-1,8-naphthyridine-3-carboxylic acid
SMILESCCn1cc(C(=O)O)c(=O)c2ccc(Cc3ccccc3)nc21
InChIInChI=1S/C18H16N2O3/c1-2-20-11-15(18(22)23)16(21)14-9-8-13(19-17(14)20)10-12-6-4-3-5-7-12/h3-9,11H,2,10H2,1H3,(H,22,23)
InChIKeyWHHHJDGNBVQNAU-UHFFFAOYSA-N
XLogP2.71
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-benzyl-1-ethyl-4-oxo-1,8-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

Related Compounds

Nalidixic Acid
CID 4421
Tosufloxacin
CID 5517
Nalidixate Sodium
CID 23675318
Nalidixate Sodium Anhydrous
CID 3864541
4-Hydroxy-7-methyl-1,8-naphthyridine-3-carboxylic acid
CID 5373672
Ethyl 7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 5373687
7-[(3S)-3-aminopyrrolidin-1-yl]-1-(2,4-difluorophenyl)-6-fluoro-5-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 488361
Prop-2-enyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 3981051
7-[(1S,2R,5S,6S)-6-Amino-2-methyl-3-azabicyclo[3.1.0]hex-3-yl]-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid
CID 10025695
1-(2,4-difluorophenyl)-6-fluoro-7-[(1S,5R)-6-(methylamino)-3-azabicyclo[3.1.0]hexan-3-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 10387969
1-benzyl-7-methyl-3-(4-methylbenzoyl)-1,8-naphthyridin-4(1H)-one
CID 15988460
1-(4-fluorobenzyl)-7-methyl-3-(4-methylbenzoyl)[1,8]naphthyridin-4(1H)-one
CID 15988482

Frequently Asked Questions

What is the IUPAC name of 7-benzyl-1-ethyl-4-oxo-1,8-naphthyridine-3-carboxylic acid?
The IUPAC name of 7-benzyl-1-ethyl-4-oxo-1,8-naphthyridine-3-carboxylic acid (CID 2137) is 7-benzyl-1-ethyl-4-oxo-1,8-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 7-benzyl-1-ethyl-4-oxo-1,8-naphthyridine-3-carboxylic acid?
The canonical SMILES for 7-benzyl-1-ethyl-4-oxo-1,8-naphthyridine-3-carboxylic acid is CCn1cc(C(=O)O)c(=O)c2ccc(Cc3ccccc3)nc21.
What is the InChIKey of 7-benzyl-1-ethyl-4-oxo-1,8-naphthyridine-3-carboxylic acid?
The InChIKey is WHHHJDGNBVQNAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-2-20-11-15(18(22)23)16(21)14-9-8-13(19-17(14)20)10-12-6-4-3-5-7-12/h3-9,11H,2,10H2,1H3,(H,22,23).
What are the key properties of 7-benzyl-1-ethyl-4-oxo-1,8-naphthyridine-3-carboxylic acid?
7-benzyl-1-ethyl-4-oxo-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 308.34 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzyl-1-ethyl-4-oxo-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 2137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).