1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate

C12H11N2O3- — CID 3996620

IUPAC1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
SMILESCCn1cc(C(=O)[O-])c(=O)c2ccc(C)nc21
InChIInChI=1S/C12H12N2O3/c1-3-14-6-9(12(16)17)10(15)8-5-4-7(2)13-11(8)14/h4-6H,3H2,1-2H3,(H,16,17)/p-1
InChIKeyMHWLWQUZZRMNGJ-UHFFFAOYSA-M
MW231.23 g/mol
LogP0.09
Rot. Bonds2

About 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate

1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate (PubChem CID 3996620) has the molecular formula C12H11N2O3- and a molecular weight of 231.23 g/mol. Its IUPAC name is 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound Name1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
PubChem CID3996620
Molecular FormulaC12H11N2O3-
Molecular Weight231.23 g/mol
Exact Mass231.08
IUPAC Name1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
SMILESCCn1cc(C(=O)[O-])c(=O)c2ccc(C)nc21
InChIInChI=1S/C12H12N2O3/c1-3-14-6-9(12(16)17)10(15)8-5-4-7(2)13-11(8)14/h4-6H,3H2,1-2H3,(H,16,17)/p-1
InChIKeyMHWLWQUZZRMNGJ-UHFFFAOYSA-M
XLogP0.09
TPSA75.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.23
LogP ≤ 50.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-ethyl-7-methyl-4-oxo-1,8-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 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate?
The IUPAC name of 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate (CID 3996620) is 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate.
What is the SMILES notation for 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate?
The canonical SMILES for 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate is CCn1cc(C(=O)[O-])c(=O)c2ccc(C)nc21.
What is the InChIKey of 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate?
The InChIKey is MHWLWQUZZRMNGJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H12N2O3/c1-3-14-6-9(12(16)17)10(15)8-5-4-7(2)13-11(8)14/h4-6H,3H2,1-2H3,(H,16,17)/p-1.
What are the key properties of 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate?
1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate has a molecular weight of 231.23 g/mol, XLogP of 0.09, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 3996620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).