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

C12H12N2O3 — CID 5373687

IUPACethyl 7-methyl-4-oxo-1H-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1c[nH]c2nc(C)ccc2c1=O
InChIInChI=1S/C12H12N2O3/c1-3-17-12(16)9-6-13-11-8(10(9)15)5-4-7(2)14-11/h4-6H,3H2,1-2H3,(H,13,14,15)
InChIKeyKPXWNJGVBKCXKB-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.41
Rot. Bonds2

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

ethyl 7-methyl-4-oxo-1H-1,8-naphthyridine-3-carboxylate (PubChem CID 5373687) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is ethyl 7-methyl-4-oxo-1H-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 7-methyl-4-oxo-1H-1,8-naphthyridine-3-carboxylate
PubChem CID5373687
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Nameethyl 7-methyl-4-oxo-1H-1,8-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1c[nH]c2nc(C)ccc2c1=O
InChIInChI=1S/C12H12N2O3/c1-3-17-12(16)9-6-13-11-8(10(9)15)5-4-7(2)14-11/h4-6H,3H2,1-2H3,(H,13,14,15)
InChIKeyKPXWNJGVBKCXKB-UHFFFAOYSA-N
XLogP1.41
TPSA72.05 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 ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Nalidixic Acid
CID 4421
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
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
7-Methyl-1,8-naphthyridin-4(1H)-one
CID 5373676
3-Benzyl-7-methyl-[1,8]naphthyridin-4-ol
CID 15557795
Benzyl 1-ethyl-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylate
CID 1257338
1-Ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid (3-bromophenyl)methyl ester
CID 1314297
[2-(2,6-Dimethylanilino)-2-oxoethyl] 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 2344423

Frequently Asked Questions

What is the IUPAC name of ethyl 7-methyl-4-oxo-1H-1,8-naphthyridine-3-carboxylate?
The IUPAC name of ethyl 7-methyl-4-oxo-1H-1,8-naphthyridine-3-carboxylate (CID 5373687) is ethyl 7-methyl-4-oxo-1H-1,8-naphthyridine-3-carboxylate.
What is the SMILES notation for ethyl 7-methyl-4-oxo-1H-1,8-naphthyridine-3-carboxylate?
The canonical SMILES for ethyl 7-methyl-4-oxo-1H-1,8-naphthyridine-3-carboxylate is CCOC(=O)c1c[nH]c2nc(C)ccc2c1=O.
What is the InChIKey of ethyl 7-methyl-4-oxo-1H-1,8-naphthyridine-3-carboxylate?
The InChIKey is KPXWNJGVBKCXKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-3-17-12(16)9-6-13-11-8(10(9)15)5-4-7(2)14-11/h4-6H,3H2,1-2H3,(H,13,14,15).
What are the key properties of ethyl 7-methyl-4-oxo-1H-1,8-naphthyridine-3-carboxylate?
ethyl 7-methyl-4-oxo-1H-1,8-naphthyridine-3-carboxylate has a molecular weight of 232.24 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-methyl-4-oxo-1H-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 5373687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).