2-(7-chloro-4-oxoquinolin-1-yl)propanoic acid

C12H10ClNO3 — CID 53269466

IUPAC2-(7-chloro-4-oxoquinolin-1-yl)propanoic acid
SMILESCC(C(=O)O)n1ccc(=O)c2ccc(Cl)cc21
InChIInChI=1S/C12H10ClNO3/c1-7(12(16)17)14-5-4-11(15)9-3-2-8(13)6-10(9)14/h2-7H,1H3,(H,16,17)
InChIKeyNPWJTQDJIXHSPZ-UHFFFAOYSA-N
MW251.67 g/mol
LogP2.30
Rot. Bonds2

About 2-(7-chloro-4-oxoquinolin-1-yl)propanoic acid

2-(7-chloro-4-oxoquinolin-1-yl)propanoic acid (PubChem CID 53269466) has the molecular formula C12H10ClNO3 and a molecular weight of 251.67 g/mol. Its IUPAC name is 2-(7-chloro-4-oxoquinolin-1-yl)propanoic acid.

Molecular Properties

Compound Name2-(7-chloro-4-oxoquinolin-1-yl)propanoic acid
PubChem CID53269466
Molecular FormulaC12H10ClNO3
Molecular Weight251.67 g/mol
Exact Mass251.03
IUPAC Name2-(7-chloro-4-oxoquinolin-1-yl)propanoic acid
SMILESCC(C(=O)O)n1ccc(=O)c2ccc(Cl)cc21
InChIInChI=1S/C12H10ClNO3/c1-7(12(16)17)14-5-4-11(15)9-3-2-8(13)6-10(9)14/h2-7H,1H3,(H,16,17)
InChIKeyNPWJTQDJIXHSPZ-UHFFFAOYSA-N
XLogP2.30
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.67
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(7-chloro-4-oxoquinolin-1-yl)propanoic acid?
The IUPAC name of 2-(7-chloro-4-oxoquinolin-1-yl)propanoic acid (CID 53269466) is 2-(7-chloro-4-oxoquinolin-1-yl)propanoic acid.
What is the SMILES notation for 2-(7-chloro-4-oxoquinolin-1-yl)propanoic acid?
The canonical SMILES for 2-(7-chloro-4-oxoquinolin-1-yl)propanoic acid is CC(C(=O)O)n1ccc(=O)c2ccc(Cl)cc21.
What is the InChIKey of 2-(7-chloro-4-oxoquinolin-1-yl)propanoic acid?
The InChIKey is NPWJTQDJIXHSPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO3/c1-7(12(16)17)14-5-4-11(15)9-3-2-8(13)6-10(9)14/h2-7H,1H3,(H,16,17).
What are the key properties of 2-(7-chloro-4-oxoquinolin-1-yl)propanoic acid?
2-(7-chloro-4-oxoquinolin-1-yl)propanoic acid has a molecular weight of 251.67 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloro-4-oxoquinolin-1-yl)propanoic acid is sourced from PubChem (CID 53269466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).