methyl 6-ethyl-7-oxo-8H-1,8-naphthyridine-2-carboxylate

C12H12N2O3 — CID 169110497

IUPACmethyl 6-ethyl-7-oxo-8H-1,8-naphthyridine-2-carboxylate
SMILESCCc1cc2ccc(C(=O)OC)nc2[nH]c1=O
InChIInChI=1S/C12H12N2O3/c1-3-7-6-8-4-5-9(12(16)17-2)13-10(8)14-11(7)15/h4-6H,3H2,1-2H3,(H,13,14,15)
InChIKeyUTVWDFCDUKJUJG-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.27
Rot. Bonds2

About methyl 6-ethyl-7-oxo-8H-1,8-naphthyridine-2-carboxylate

methyl 6-ethyl-7-oxo-8H-1,8-naphthyridine-2-carboxylate (PubChem CID 169110497) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is methyl 6-ethyl-7-oxo-8H-1,8-naphthyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-ethyl-7-oxo-8H-1,8-naphthyridine-2-carboxylate
PubChem CID169110497
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Namemethyl 6-ethyl-7-oxo-8H-1,8-naphthyridine-2-carboxylate
SMILESCCc1cc2ccc(C(=O)OC)nc2[nH]c1=O
InChIInChI=1S/C12H12N2O3/c1-3-7-6-8-4-5-9(12(16)17-2)13-10(8)14-11(7)15/h4-6H,3H2,1-2H3,(H,13,14,15)
InChIKeyUTVWDFCDUKJUJG-UHFFFAOYSA-N
XLogP1.27
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 ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-chloro-3-ethyl-1H-1,8-naphthyridin-2-one
CID 170566529
3-ethyl-1H-benzo[b][1,8]naphthyridin-2-one
CID 59093558
methyl 5-ethyl-1H-pyrazole-3-carboxylate
CID 43428294
methyl 6-ethylpyridine-2-carboxylate;propane
CID 142320367
3-ethyl-2-oxo-1H-quinoline-7-carboxylic acid
CID 59474824
3-ethyl-7-(ethylamino)-1H-quinolin-2-one
CID 170712582
methyl 2-ethyl-7-methyl-1H-imidazo[4,5-b]pyridine-5-carboxylate
CID 18693152
dimethyl 4-ethoxypyridine-2,6-dicarboxylate
CID 73212602
dimethyl 4-propylpyridine-2,6-dicarboxylate
CID 138532950
methyl 5-(fluoromethyl)-6-methylpyridine-2-carboxylate
CID 118048307
methyl 2-(methylamino)-6-oxo-1H-pyrimidine-4-carboxylate
CID 137201096
3-ethyl-6-methyl-1H-1,8-naphthyridin-2-one
CID 118005009

Frequently Asked Questions

What is the IUPAC name of methyl 6-ethyl-7-oxo-8H-1,8-naphthyridine-2-carboxylate?
The IUPAC name of methyl 6-ethyl-7-oxo-8H-1,8-naphthyridine-2-carboxylate (CID 169110497) is methyl 6-ethyl-7-oxo-8H-1,8-naphthyridine-2-carboxylate.
What is the SMILES notation for methyl 6-ethyl-7-oxo-8H-1,8-naphthyridine-2-carboxylate?
The canonical SMILES for methyl 6-ethyl-7-oxo-8H-1,8-naphthyridine-2-carboxylate is CCc1cc2ccc(C(=O)OC)nc2[nH]c1=O.
What is the InChIKey of methyl 6-ethyl-7-oxo-8H-1,8-naphthyridine-2-carboxylate?
The InChIKey is UTVWDFCDUKJUJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-3-7-6-8-4-5-9(12(16)17-2)13-10(8)14-11(7)15/h4-6H,3H2,1-2H3,(H,13,14,15).
What are the key properties of methyl 6-ethyl-7-oxo-8H-1,8-naphthyridine-2-carboxylate?
methyl 6-ethyl-7-oxo-8H-1,8-naphthyridine-2-carboxylate has a molecular weight of 232.24 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-ethyl-7-oxo-8H-1,8-naphthyridine-2-carboxylate is sourced from PubChem (CID 169110497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).