3-(6-chloroquinolin-2-yl)-2-methylpropanoic acid

C13H12ClNO2 — CID 82244797

IUPAC3-(6-chloroquinolin-2-yl)-2-methylpropanoic acid
SMILESCC(Cc1ccc2cc(Cl)ccc2n1)C(=O)O
InChIInChI=1S/C13H12ClNO2/c1-8(13(16)17)6-11-4-2-9-7-10(14)3-5-12(9)15-11/h2-5,7-8H,6H2,1H3,(H,16,17)
InChIKeyDXUTZYITDPEPFV-UHFFFAOYSA-N
MW249.70 g/mol
LogP3.15
Rot. Bonds3

About 3-(6-chloroquinolin-2-yl)-2-methylpropanoic acid

3-(6-chloroquinolin-2-yl)-2-methylpropanoic acid (PubChem CID 82244797) has the molecular formula C13H12ClNO2 and a molecular weight of 249.70 g/mol. Its IUPAC name is 3-(6-chloroquinolin-2-yl)-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(6-chloroquinolin-2-yl)-2-methylpropanoic acid
PubChem CID82244797
Molecular FormulaC13H12ClNO2
Molecular Weight249.70 g/mol
Exact Mass249.06
IUPAC Name3-(6-chloroquinolin-2-yl)-2-methylpropanoic acid
SMILESCC(Cc1ccc2cc(Cl)ccc2n1)C(=O)O
InChIInChI=1S/C13H12ClNO2/c1-8(13(16)17)6-11-4-2-9-7-10(14)3-5-12(9)15-11/h2-5,7-8H,6H2,1H3,(H,16,17)
InChIKeyDXUTZYITDPEPFV-UHFFFAOYSA-N
XLogP3.15
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 ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(6-chloroquinolin-2-yl)-2-methylpropanoic acid?
The IUPAC name of 3-(6-chloroquinolin-2-yl)-2-methylpropanoic acid (CID 82244797) is 3-(6-chloroquinolin-2-yl)-2-methylpropanoic acid.
What is the SMILES notation for 3-(6-chloroquinolin-2-yl)-2-methylpropanoic acid?
The canonical SMILES for 3-(6-chloroquinolin-2-yl)-2-methylpropanoic acid is CC(Cc1ccc2cc(Cl)ccc2n1)C(=O)O.
What is the InChIKey of 3-(6-chloroquinolin-2-yl)-2-methylpropanoic acid?
The InChIKey is DXUTZYITDPEPFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO2/c1-8(13(16)17)6-11-4-2-9-7-10(14)3-5-12(9)15-11/h2-5,7-8H,6H2,1H3,(H,16,17).
What are the key properties of 3-(6-chloroquinolin-2-yl)-2-methylpropanoic acid?
3-(6-chloroquinolin-2-yl)-2-methylpropanoic acid has a molecular weight of 249.70 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloroquinolin-2-yl)-2-methylpropanoic acid is sourced from PubChem (CID 82244797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).