4-chloro-3-ethyl-2-methylquinoline-6-carboxylic acid

C13H12ClNO2 — CID 768486

IUPAC4-chloro-3-ethyl-2-methylquinoline-6-carboxylic acid
SMILESCCc1c(C)nc2ccc(C(=O)O)cc2c1Cl
InChIInChI=1S/C13H12ClNO2/c1-3-9-7(2)15-11-5-4-8(13(16)17)6-10(11)12(9)14/h4-6H,3H2,1-2H3,(H,16,17)
InChIKeyZFXUIFLCUHCIMS-UHFFFAOYSA-N
MW249.70 g/mol
LogP3.46
Rot. Bonds2

About 4-chloro-3-ethyl-2-methylquinoline-6-carboxylic acid

4-chloro-3-ethyl-2-methylquinoline-6-carboxylic acid (PubChem CID 768486) has the molecular formula C13H12ClNO2 and a molecular weight of 249.70 g/mol. Its IUPAC name is 4-chloro-3-ethyl-2-methylquinoline-6-carboxylic acid.

Molecular Properties

Compound Name4-chloro-3-ethyl-2-methylquinoline-6-carboxylic acid
PubChem CID768486
Molecular FormulaC13H12ClNO2
Molecular Weight249.70 g/mol
Exact Mass249.06
IUPAC Name4-chloro-3-ethyl-2-methylquinoline-6-carboxylic acid
SMILESCCc1c(C)nc2ccc(C(=O)O)cc2c1Cl
InChIInChI=1S/C13H12ClNO2/c1-3-9-7(2)15-11-5-4-8(13(16)17)6-10(11)12(9)14/h4-6H,3H2,1-2H3,(H,16,17)
InChIKeyZFXUIFLCUHCIMS-UHFFFAOYSA-N
XLogP3.46
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.70
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-butyl-4-chloro-2-methylquinoline-6-carboxylic acid
CID 3117143
4-chloro-3-ethyl-N,2-dimethylquinoline-6-carboxamide
CID 59810771
3-ethyl-2,4-dimethylquinoline-6-carboxylic acid
CID 50888886
ethyl 4-chloro-3-[(Z)-3-chlorobut-2-enyl]-2-methylquinoline-6-carboxylate
CID 826095
4-chloro-3-ethyl-7-fluoro-2,6-dimethylquinoline
CID 103996076
6-bromo-3-ethyl-2-methylquinoline-4-carboxylic acid
CID 21061136
(6-chloro-4-ethyl-2-methylquinolin-3-yl)methanol
CID 125451461
4-chloro-2-ethylquinoline-7-carboxylic acid
CID 126753847
4-methylquinazoline-6-carboxylic acid
CID 84661394
ethyl 3-benzyl-2,4-dichloroquinoline-6-carboxylate
CID 90101722
3-[(4-chloro-3-ethyl-2-methylquinolin-6-yl)amino]-1-(2-hydroxyethyl)pyrrole-2,5-dione
CID 168557920
4-chloro-3-ethylbenzoic acid
CID 21412279

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-ethyl-2-methylquinoline-6-carboxylic acid?
The IUPAC name of 4-chloro-3-ethyl-2-methylquinoline-6-carboxylic acid (CID 768486) is 4-chloro-3-ethyl-2-methylquinoline-6-carboxylic acid.
What is the SMILES notation for 4-chloro-3-ethyl-2-methylquinoline-6-carboxylic acid?
The canonical SMILES for 4-chloro-3-ethyl-2-methylquinoline-6-carboxylic acid is CCc1c(C)nc2ccc(C(=O)O)cc2c1Cl.
What is the InChIKey of 4-chloro-3-ethyl-2-methylquinoline-6-carboxylic acid?
The InChIKey is ZFXUIFLCUHCIMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO2/c1-3-9-7(2)15-11-5-4-8(13(16)17)6-10(11)12(9)14/h4-6H,3H2,1-2H3,(H,16,17).
What are the key properties of 4-chloro-3-ethyl-2-methylquinoline-6-carboxylic acid?
4-chloro-3-ethyl-2-methylquinoline-6-carboxylic acid has a molecular weight of 249.70 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-ethyl-2-methylquinoline-6-carboxylic acid is sourced from PubChem (CID 768486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).