3-(6-chloro-2-methylquinolin-8-yl)propanoic acid

C13H12ClNO2 — CID 82577924

IUPAC3-(6-chloro-2-methylquinolin-8-yl)propanoic acid
SMILESCc1ccc2cc(Cl)cc(CCC(=O)O)c2n1
InChIInChI=1S/C13H12ClNO2/c1-8-2-3-9-6-11(14)7-10(13(9)15-8)4-5-12(16)17/h2-3,6-7H,4-5H2,1H3,(H,16,17)
InChIKeyWSXCRSDTWDQAHB-UHFFFAOYSA-N
MW249.70 g/mol
LogP3.21
Rot. Bonds3

About 3-(6-chloro-2-methylquinolin-8-yl)propanoic acid

3-(6-chloro-2-methylquinolin-8-yl)propanoic acid (PubChem CID 82577924) has the molecular formula C13H12ClNO2 and a molecular weight of 249.70 g/mol. Its IUPAC name is 3-(6-chloro-2-methylquinolin-8-yl)propanoic acid.

Molecular Properties

Compound Name3-(6-chloro-2-methylquinolin-8-yl)propanoic acid
PubChem CID82577924
Molecular FormulaC13H12ClNO2
Molecular Weight249.70 g/mol
Exact Mass249.06
IUPAC Name3-(6-chloro-2-methylquinolin-8-yl)propanoic acid
SMILESCc1ccc2cc(Cl)cc(CCC(=O)O)c2n1
InChIInChI=1S/C13H12ClNO2/c1-8-2-3-9-6-11(14)7-10(13(9)15-8)4-5-12(16)17/h2-3,6-7H,4-5H2,1H3,(H,16,17)
InChIKeyWSXCRSDTWDQAHB-UHFFFAOYSA-N
XLogP3.21
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.70
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(6-chloro-2-methylquinolin-8-yl)propanoic acid?
The IUPAC name of 3-(6-chloro-2-methylquinolin-8-yl)propanoic acid (CID 82577924) is 3-(6-chloro-2-methylquinolin-8-yl)propanoic acid.
What is the SMILES notation for 3-(6-chloro-2-methylquinolin-8-yl)propanoic acid?
The canonical SMILES for 3-(6-chloro-2-methylquinolin-8-yl)propanoic acid is Cc1ccc2cc(Cl)cc(CCC(=O)O)c2n1.
What is the InChIKey of 3-(6-chloro-2-methylquinolin-8-yl)propanoic acid?
The InChIKey is WSXCRSDTWDQAHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO2/c1-8-2-3-9-6-11(14)7-10(13(9)15-8)4-5-12(16)17/h2-3,6-7H,4-5H2,1H3,(H,16,17).
What are the key properties of 3-(6-chloro-2-methylquinolin-8-yl)propanoic acid?
3-(6-chloro-2-methylquinolin-8-yl)propanoic acid has a molecular weight of 249.70 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloro-2-methylquinolin-8-yl)propanoic acid is sourced from PubChem (CID 82577924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).