2-(8-chloro-5-methoxyquinolin-2-yl)propanoic acid

C13H12ClNO3 — CID 84640034

IUPAC2-(8-chloro-5-methoxyquinolin-2-yl)propanoic acid
SMILESCOc1ccc(Cl)c2nc(C(C)C(=O)O)ccc12
InChIInChI=1S/C13H12ClNO3/c1-7(13(16)17)10-5-3-8-11(18-2)6-4-9(14)12(8)15-10/h3-7H,1-2H3,(H,16,17)
InChIKeyMSEYQFIXGAMSAP-UHFFFAOYSA-N
MW265.70 g/mol
LogP3.08
Rot. Bonds3

About 2-(8-chloro-5-methoxyquinolin-2-yl)propanoic acid

2-(8-chloro-5-methoxyquinolin-2-yl)propanoic acid (PubChem CID 84640034) has the molecular formula C13H12ClNO3 and a molecular weight of 265.70 g/mol. Its IUPAC name is 2-(8-chloro-5-methoxyquinolin-2-yl)propanoic acid.

Molecular Properties

Compound Name2-(8-chloro-5-methoxyquinolin-2-yl)propanoic acid
PubChem CID84640034
Molecular FormulaC13H12ClNO3
Molecular Weight265.70 g/mol
Exact Mass265.05
IUPAC Name2-(8-chloro-5-methoxyquinolin-2-yl)propanoic acid
SMILESCOc1ccc(Cl)c2nc(C(C)C(=O)O)ccc12
InChIInChI=1S/C13H12ClNO3/c1-7(13(16)17)10-5-3-8-11(18-2)6-4-9(14)12(8)15-10/h3-7H,1-2H3,(H,16,17)
InChIKeyMSEYQFIXGAMSAP-UHFFFAOYSA-N
XLogP3.08
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.70
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-chloro-6-methyl-2-pyridinyl)propanoic acid
CID 83880579
2-(8-methoxy-4,5-dimethylquinolin-2-yl)propanoic acid
CID 84637663
8-chloro-2-(dimethylamino)-5-methoxyquinoline-3-carboxylic acid
CID 84642729
(2S)-2-(5-chloro-6-methoxynaphthalen-2-yl)propanoic acid
CID 13075209
2-(5-methoxy-2-pyridinyl)propanoic acid
CID 82654412
2,8-dichloro-5-methoxy-3-methylquinoline
CID 63232144
7-chloro-4-methoxy-8-methylquinoline-2-carboxylic acid
CID 102941914
2,8-dichloro-3-ethyl-5-methoxyquinoline
CID 63232145
2-(4,6-dimethoxynaphthalen-1-yl)propanoic acid
CID 131855492
2-(6-fluoro-2,3-dimethoxyphenyl)propanoic acid
CID 117328473
2-(8-chloro-5-methoxyquinolin-3-yl)acetic acid
CID 84634455
2-(3-chloro-2-fluoro-4-methoxyphenyl)propanoic acid
CID 117337126

Frequently Asked Questions

What is the IUPAC name of 2-(8-chloro-5-methoxyquinolin-2-yl)propanoic acid?
The IUPAC name of 2-(8-chloro-5-methoxyquinolin-2-yl)propanoic acid (CID 84640034) is 2-(8-chloro-5-methoxyquinolin-2-yl)propanoic acid.
What is the SMILES notation for 2-(8-chloro-5-methoxyquinolin-2-yl)propanoic acid?
The canonical SMILES for 2-(8-chloro-5-methoxyquinolin-2-yl)propanoic acid is COc1ccc(Cl)c2nc(C(C)C(=O)O)ccc12.
What is the InChIKey of 2-(8-chloro-5-methoxyquinolin-2-yl)propanoic acid?
The InChIKey is MSEYQFIXGAMSAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO3/c1-7(13(16)17)10-5-3-8-11(18-2)6-4-9(14)12(8)15-10/h3-7H,1-2H3,(H,16,17).
What are the key properties of 2-(8-chloro-5-methoxyquinolin-2-yl)propanoic acid?
2-(8-chloro-5-methoxyquinolin-2-yl)propanoic acid has a molecular weight of 265.70 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-chloro-5-methoxyquinolin-2-yl)propanoic acid is sourced from PubChem (CID 84640034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).