7-chloro-4-ethyl-6-methoxy-2-oxo-1H-quinoline-3-carboxylic acid

C13H12ClNO4 — CID 84642932

IUPAC7-chloro-4-ethyl-6-methoxy-2-oxo-1H-quinoline-3-carboxylic acid
SMILESCCc1c(C(=O)O)c(=O)[nH]c2cc(Cl)c(OC)cc12
InChIInChI=1S/C13H12ClNO4/c1-3-6-7-4-10(19-2)8(14)5-9(7)15-12(16)11(6)13(17)18/h4-5H,3H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyFCAJFIILIFBGJI-UHFFFAOYSA-N
MW281.69 g/mol
LogP2.45
Rot. Bonds3

About 7-chloro-4-ethyl-6-methoxy-2-oxo-1H-quinoline-3-carboxylic acid

7-chloro-4-ethyl-6-methoxy-2-oxo-1H-quinoline-3-carboxylic acid (PubChem CID 84642932) has the molecular formula C13H12ClNO4 and a molecular weight of 281.69 g/mol. Its IUPAC name is 7-chloro-4-ethyl-6-methoxy-2-oxo-1H-quinoline-3-carboxylic acid.

Molecular Properties

Compound Name7-chloro-4-ethyl-6-methoxy-2-oxo-1H-quinoline-3-carboxylic acid
PubChem CID84642932
Molecular FormulaC13H12ClNO4
Molecular Weight281.69 g/mol
Exact Mass281.05
IUPAC Name7-chloro-4-ethyl-6-methoxy-2-oxo-1H-quinoline-3-carboxylic acid
SMILESCCc1c(C(=O)O)c(=O)[nH]c2cc(Cl)c(OC)cc12
InChIInChI=1S/C13H12ClNO4/c1-3-6-7-4-10(19-2)8(14)5-9(7)15-12(16)11(6)13(17)18/h4-5H,3H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyFCAJFIILIFBGJI-UHFFFAOYSA-N
XLogP2.45
TPSA79.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.69
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-aminoethyl)-6-chloro-5-methoxy-1H-indole-2-carboxylic acid
CID 84743045
3-(6-chloro-5-methoxy-2-methyl-1H-indol-3-yl)propanoic acid
CID 82501837
4-ethyl-8-methoxy-5-methyl-2-oxo-1H-quinoline-3-carboxylic acid
CID 84638531
4-ethyl-6,8-dimethyl-2-oxo-1H-quinoline-3-carboxylic acid
CID 84631832
2-amino-4-(5-chloro-2-hydroxy-4-methoxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169406915
5,6,7-trimethoxy-2-oxo-1H-quinoline-3-carboxylic acid
CID 22690296
2-ethyl-3,6-dimethoxybenzoic acid
CID 84677566
2-(6-chloro-5-methoxy-2-methyl-1H-indol-3-yl)acetonitrile
CID 82496487
3-ethyl-2,4-dimethoxy-6-methylbenzoic acid
CID 86188717
6-chloro-4-hydroxy-7-methoxy-3-methylsulfonyl-1H-quinolin-2-one
CID 134910353
4-ethyl-6,7-dimethoxy-9H-pyrido[3,4-b]indole-3-carboxylic acid
CID 18403943
6-chloro-4-hydroxy-7-methoxy-2-oxo-1H-quinoline-3-carbonitrile
CID 134987165

Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-ethyl-6-methoxy-2-oxo-1H-quinoline-3-carboxylic acid?
The IUPAC name of 7-chloro-4-ethyl-6-methoxy-2-oxo-1H-quinoline-3-carboxylic acid (CID 84642932) is 7-chloro-4-ethyl-6-methoxy-2-oxo-1H-quinoline-3-carboxylic acid.
What is the SMILES notation for 7-chloro-4-ethyl-6-methoxy-2-oxo-1H-quinoline-3-carboxylic acid?
The canonical SMILES for 7-chloro-4-ethyl-6-methoxy-2-oxo-1H-quinoline-3-carboxylic acid is CCc1c(C(=O)O)c(=O)[nH]c2cc(Cl)c(OC)cc12.
What is the InChIKey of 7-chloro-4-ethyl-6-methoxy-2-oxo-1H-quinoline-3-carboxylic acid?
The InChIKey is FCAJFIILIFBGJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO4/c1-3-6-7-4-10(19-2)8(14)5-9(7)15-12(16)11(6)13(17)18/h4-5H,3H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 7-chloro-4-ethyl-6-methoxy-2-oxo-1H-quinoline-3-carboxylic acid?
7-chloro-4-ethyl-6-methoxy-2-oxo-1H-quinoline-3-carboxylic acid has a molecular weight of 281.69 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-ethyl-6-methoxy-2-oxo-1H-quinoline-3-carboxylic acid is sourced from PubChem (CID 84642932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).