3-(7-chloro-4-oxoquinolin-1-yl)propanoic acid

C12H10ClNO3 — CID 53264256

IUPAC3-(7-chloro-4-oxoquinolin-1-yl)propanoic acid
SMILESO=C(O)CCn1ccc(=O)c2ccc(Cl)cc21
InChIInChI=1S/C12H10ClNO3/c13-8-1-2-9-10(7-8)14(5-3-11(9)15)6-4-12(16)17/h1-3,5,7H,4,6H2,(H,16,17)
InChIKeyILFOMYQGZVIHEE-UHFFFAOYSA-N
MW251.67 g/mol
LogP2.13
Rot. Bonds3

About 3-(7-chloro-4-oxoquinolin-1-yl)propanoic acid

3-(7-chloro-4-oxoquinolin-1-yl)propanoic acid (PubChem CID 53264256) has the molecular formula C12H10ClNO3 and a molecular weight of 251.67 g/mol. Its IUPAC name is 3-(7-chloro-4-oxoquinolin-1-yl)propanoic acid.

Molecular Properties

Compound Name3-(7-chloro-4-oxoquinolin-1-yl)propanoic acid
PubChem CID53264256
Molecular FormulaC12H10ClNO3
Molecular Weight251.67 g/mol
Exact Mass251.03
IUPAC Name3-(7-chloro-4-oxoquinolin-1-yl)propanoic acid
SMILESO=C(O)CCn1ccc(=O)c2ccc(Cl)cc21
InChIInChI=1S/C12H10ClNO3/c13-8-1-2-9-10(7-8)14(5-3-11(9)15)6-4-12(16)17/h1-3,5,7H,4,6H2,(H,16,17)
InChIKeyILFOMYQGZVIHEE-UHFFFAOYSA-N
XLogP2.13
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.67
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(7-chloro-4-oxoquinolin-1-yl)propanoic acid?
The IUPAC name of 3-(7-chloro-4-oxoquinolin-1-yl)propanoic acid (CID 53264256) is 3-(7-chloro-4-oxoquinolin-1-yl)propanoic acid.
What is the SMILES notation for 3-(7-chloro-4-oxoquinolin-1-yl)propanoic acid?
The canonical SMILES for 3-(7-chloro-4-oxoquinolin-1-yl)propanoic acid is O=C(O)CCn1ccc(=O)c2ccc(Cl)cc21.
What is the InChIKey of 3-(7-chloro-4-oxoquinolin-1-yl)propanoic acid?
The InChIKey is ILFOMYQGZVIHEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO3/c13-8-1-2-9-10(7-8)14(5-3-11(9)15)6-4-12(16)17/h1-3,5,7H,4,6H2,(H,16,17).
What are the key properties of 3-(7-chloro-4-oxoquinolin-1-yl)propanoic acid?
3-(7-chloro-4-oxoquinolin-1-yl)propanoic acid has a molecular weight of 251.67 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-chloro-4-oxoquinolin-1-yl)propanoic acid is sourced from PubChem (CID 53264256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).