2-(2-chloroquinolin-3-yl)propanoic acid

C12H10ClNO2 — CID 116985221

IUPAC2-(2-chloroquinolin-3-yl)propanoic acid
SMILESCC(C(=O)O)c1cc2ccccc2nc1Cl
InChIInChI=1S/C12H10ClNO2/c1-7(12(15)16)9-6-8-4-2-3-5-10(8)14-11(9)13/h2-7H,1H3,(H,15,16)
InChIKeyXKEQIIBGCXKFAH-UHFFFAOYSA-N
MW235.67 g/mol
LogP3.08
Rot. Bonds2

About 2-(2-chloroquinolin-3-yl)propanoic acid

2-(2-chloroquinolin-3-yl)propanoic acid (PubChem CID 116985221) has the molecular formula C12H10ClNO2 and a molecular weight of 235.67 g/mol. Its IUPAC name is 2-(2-chloroquinolin-3-yl)propanoic acid.

Molecular Properties

Compound Name2-(2-chloroquinolin-3-yl)propanoic acid
PubChem CID116985221
Molecular FormulaC12H10ClNO2
Molecular Weight235.67 g/mol
Exact Mass235.04
IUPAC Name2-(2-chloroquinolin-3-yl)propanoic acid
SMILESCC(C(=O)O)c1cc2ccccc2nc1Cl
InChIInChI=1S/C12H10ClNO2/c1-7(12(15)16)9-6-8-4-2-3-5-10(8)14-11(9)13/h2-7H,1H3,(H,15,16)
InChIKeyXKEQIIBGCXKFAH-UHFFFAOYSA-N
XLogP3.08
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.67
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-amino-2-(2-chloroquinolin-3-yl)acetic acid
CID 4112789
(1S)-1-(2-chloroquinolin-3-yl)ethanamine
CID 130699485
2-(2-chloroquinolin-3-yl)-3-methylbutan-1-ol
CID 116985269
methyl (2R)-2-amino-2-(2-chloroquinolin-3-yl)acetate;hydrochloride
CID 171234856
2-amino-2-(2-chloroquinolin-3-yl)ethanol
CID 116985247
2-[2-(dicarboxymethyl)quinolin-3-yl]propanedioic acid
CID 174339019
N-[1-(2-chloroquinolin-3-yl)ethyl]-2-methylpropane-2-sulfinamide
CID 154591603
(1R)-1-(2-chloroquinolin-3-yl)-2,2-dimethylpropan-1-amine;hydrochloride
CID 171251439
(1S)-1-(2-chloroquinolin-3-yl)butan-1-amine
CID 131617747
2-(2-chloroquinolin-3-yl)-N,3-dimethylbutan-1-amine
CID 116985271
2-[(2-chloroquinolin-3-yl)methylsulfanyl]butanoic acid
CID 105353050
1-(2-chloroquinolin-3-yl)propan-2-one
CID 116985236

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroquinolin-3-yl)propanoic acid?
The IUPAC name of 2-(2-chloroquinolin-3-yl)propanoic acid (CID 116985221) is 2-(2-chloroquinolin-3-yl)propanoic acid.
What is the SMILES notation for 2-(2-chloroquinolin-3-yl)propanoic acid?
The canonical SMILES for 2-(2-chloroquinolin-3-yl)propanoic acid is CC(C(=O)O)c1cc2ccccc2nc1Cl.
What is the InChIKey of 2-(2-chloroquinolin-3-yl)propanoic acid?
The InChIKey is XKEQIIBGCXKFAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO2/c1-7(12(15)16)9-6-8-4-2-3-5-10(8)14-11(9)13/h2-7H,1H3,(H,15,16).
What are the key properties of 2-(2-chloroquinolin-3-yl)propanoic acid?
2-(2-chloroquinolin-3-yl)propanoic acid has a molecular weight of 235.67 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroquinolin-3-yl)propanoic acid is sourced from PubChem (CID 116985221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).