3-ethyl-2-oxo-1H-quinoline-7-carboxylic acid

C12H11NO3 — CID 59474824

IUPAC3-ethyl-2-oxo-1H-quinoline-7-carboxylic acid
SMILESCCc1cc2ccc(C(=O)O)cc2[nH]c1=O
InChIInChI=1S/C12H11NO3/c1-2-7-5-8-3-4-9(12(15)16)6-10(8)13-11(7)14/h3-6H,2H2,1H3,(H,13,14)(H,15,16)
InChIKeyJCSNHYKGZCTZAG-UHFFFAOYSA-N
MW217.22 g/mol
LogP1.79
Rot. Bonds2

About 3-ethyl-2-oxo-1H-quinoline-7-carboxylic acid

3-ethyl-2-oxo-1H-quinoline-7-carboxylic acid (PubChem CID 59474824) has the molecular formula C12H11NO3 and a molecular weight of 217.22 g/mol. Its IUPAC name is 3-ethyl-2-oxo-1H-quinoline-7-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-2-oxo-1H-quinoline-7-carboxylic acid
PubChem CID59474824
Molecular FormulaC12H11NO3
Molecular Weight217.22 g/mol
Exact Mass217.07
IUPAC Name3-ethyl-2-oxo-1H-quinoline-7-carboxylic acid
SMILESCCc1cc2ccc(C(=O)O)cc2[nH]c1=O
InChIInChI=1S/C12H11NO3/c1-2-7-5-8-3-4-9(12(15)16)6-10(8)13-11(7)14/h3-6H,2H2,1H3,(H,13,14)(H,15,16)
InChIKeyJCSNHYKGZCTZAG-UHFFFAOYSA-N
XLogP1.79
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-oxo-1H-quinoline-3,7-dicarboxylic acid
CID 6501546
3-ethyl-7-(ethylamino)-1H-quinolin-2-one
CID 170712582
8-ethylnaphthalene-2-carboxylic acid
CID 151555828
2,2-dimethyl-3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanoic acid
CID 84637709
3-ethyl-6,7-dimethyl-1H-quinolin-2-one
CID 21061119
2-carbamoyl-1H-indole-6-carboxylic acid
CID 70896199
2,2-dimethyl-3-(2-oxo-1H-quinolin-3-yl)propanoic acid
CID 84631810
2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2,3-diphenylpropanenitrile
CID 59393258
3-(3-acetylphenyl)-2-(3-ethyl-2-oxo-1H-quinolin-7-yl)-2-methylpropanenitrile;ethane
CID 145469808
3-ethyl-7-(piperazin-1-ylmethyl)-1H-quinolin-2-one
CID 70269014
2-ethyl-1H-indole-5-carboxylic acid
CID 22708328
6-(cyclohex-3-ene-1-carbonyl)-3-ethyl-1H-quinolin-2-one
CID 118258439

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-oxo-1H-quinoline-7-carboxylic acid?
The IUPAC name of 3-ethyl-2-oxo-1H-quinoline-7-carboxylic acid (CID 59474824) is 3-ethyl-2-oxo-1H-quinoline-7-carboxylic acid.
What is the SMILES notation for 3-ethyl-2-oxo-1H-quinoline-7-carboxylic acid?
The canonical SMILES for 3-ethyl-2-oxo-1H-quinoline-7-carboxylic acid is CCc1cc2ccc(C(=O)O)cc2[nH]c1=O.
What is the InChIKey of 3-ethyl-2-oxo-1H-quinoline-7-carboxylic acid?
The InChIKey is JCSNHYKGZCTZAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3/c1-2-7-5-8-3-4-9(12(15)16)6-10(8)13-11(7)14/h3-6H,2H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 3-ethyl-2-oxo-1H-quinoline-7-carboxylic acid?
3-ethyl-2-oxo-1H-quinoline-7-carboxylic acid has a molecular weight of 217.22 g/mol, XLogP of 1.79, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-oxo-1H-quinoline-7-carboxylic acid is sourced from PubChem (CID 59474824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).