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

C12H12N2O3 — CID 4421

💊View drug profile → nalidixic acid
IUPAC1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid
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)
InChIKeyMHWLWQUZZRMNGJ-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.42
Rot. Bonds2

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

1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid (PubChem CID 4421) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid
PubChem CID4421
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid
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)
InChIKeyMHWLWQUZZRMNGJ-UHFFFAOYSA-N
XLogP1.42
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 3229
Tosufloxacin
CID 5517
Amfonelic Acid
CID 2137
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
Esafloxacin
CID 208933
Prop-2-enyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 3981051
Methyl 1-ethyl-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylate
CID 604668
1-Ethyl-6-fluoro-1,4-dihydro-7-(4-methyl-1-piperazinyl)-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 3057926
1,8-Naphthyridine-3-carboxylic acid, 1,4-dihydro-1-ethenyl-6-fluoro-4-oxo-7-(1-piperazinyl)-
CID 3057927

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid?
The IUPAC name of 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid (CID 4421) is 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid?
The canonical SMILES for 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid 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-carboxylic acid?
The InChIKey is MHWLWQUZZRMNGJ-UHFFFAOYSA-N. 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).
What are the key properties of 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid?
1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid has a molecular weight of 232.24 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 4421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).