2-(7-chloro-3-methylquinolin-2-yl)propanoic acid

C13H12ClNO2 — CID 84633602

IUPAC2-(7-chloro-3-methylquinolin-2-yl)propanoic acid
SMILESCc1cc2ccc(Cl)cc2nc1C(C)C(=O)O
InChIInChI=1S/C13H12ClNO2/c1-7-5-9-3-4-10(14)6-11(9)15-12(7)8(2)13(16)17/h3-6,8H,1-2H3,(H,16,17)
InChIKeyLPAGZYYFLYMTPP-UHFFFAOYSA-N
MW249.70 g/mol
LogP3.38
Rot. Bonds2

About 2-(7-chloro-3-methylquinolin-2-yl)propanoic acid

2-(7-chloro-3-methylquinolin-2-yl)propanoic acid (PubChem CID 84633602) has the molecular formula C13H12ClNO2 and a molecular weight of 249.70 g/mol. Its IUPAC name is 2-(7-chloro-3-methylquinolin-2-yl)propanoic acid.

Molecular Properties

Compound Name2-(7-chloro-3-methylquinolin-2-yl)propanoic acid
PubChem CID84633602
Molecular FormulaC13H12ClNO2
Molecular Weight249.70 g/mol
Exact Mass249.06
IUPAC Name2-(7-chloro-3-methylquinolin-2-yl)propanoic acid
SMILESCc1cc2ccc(Cl)cc2nc1C(C)C(=O)O
InChIInChI=1S/C13H12ClNO2/c1-7-5-9-3-4-10(14)6-11(9)15-12(7)8(2)13(16)17/h3-6,8H,1-2H3,(H,16,17)
InChIKeyLPAGZYYFLYMTPP-UHFFFAOYSA-N
XLogP3.38
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 ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(7-chloroquinazolin-4-yl)propanoic acid
CID 105498337
3-(6-chloroquinolin-2-yl)-2-methylpropanoic acid
CID 82244797
7-chloro-3-methyl-2-propan-2-ylquinoline-4-carboxylic acid
CID 60984412
2-[(7-chloroquinoline-2-carbonyl)amino]propanoic acid
CID 110490256
7-chloro-2-methyl-3-propan-2-ylquinoline
CID 140904277
2-(7-chloro-3-methylquinolin-2-yl)ethanamine
CID 82242204
2-[3-(4-chlorophenyl)pyrazin-2-yl]propanoic acid
CID 21413155
2-(2-chloroquinolin-3-yl)propanoic acid
CID 116985221
2,7-dichloro-4-methylquinoline-3-carboxylic acid
CID 84635838
7-chloro-2-propan-2-ylquinoline-4-carboxylic acid
CID 60984699
7-chloro-2-methylquinolin-3-amine
CID 72942962
3-bromo-7-chloro-2-methylquinoline
CID 151670813

Frequently Asked Questions

What is the IUPAC name of 2-(7-chloro-3-methylquinolin-2-yl)propanoic acid?
The IUPAC name of 2-(7-chloro-3-methylquinolin-2-yl)propanoic acid (CID 84633602) is 2-(7-chloro-3-methylquinolin-2-yl)propanoic acid.
What is the SMILES notation for 2-(7-chloro-3-methylquinolin-2-yl)propanoic acid?
The canonical SMILES for 2-(7-chloro-3-methylquinolin-2-yl)propanoic acid is Cc1cc2ccc(Cl)cc2nc1C(C)C(=O)O.
What is the InChIKey of 2-(7-chloro-3-methylquinolin-2-yl)propanoic acid?
The InChIKey is LPAGZYYFLYMTPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO2/c1-7-5-9-3-4-10(14)6-11(9)15-12(7)8(2)13(16)17/h3-6,8H,1-2H3,(H,16,17).
What are the key properties of 2-(7-chloro-3-methylquinolin-2-yl)propanoic acid?
2-(7-chloro-3-methylquinolin-2-yl)propanoic acid has a molecular weight of 249.70 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloro-3-methylquinolin-2-yl)propanoic acid is sourced from PubChem (CID 84633602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).