4-oxo-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)butanoic acid

C13H13NO4 — CID 13051762

IUPAC4-oxo-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)butanoic acid
SMILESO=C(O)CCC(=O)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C13H13NO4/c15-11(4-6-13(17)18)9-1-3-10-8(7-9)2-5-12(16)14-10/h1,3,7H,2,4-6H2,(H,14,16)(H,17,18)
InChIKeyANWAKYZBSMSPFC-UHFFFAOYSA-N
MW247.25 g/mol
LogP1.62
Rot. Bonds4

About 4-oxo-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)butanoic acid

4-oxo-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)butanoic acid (PubChem CID 13051762) has the molecular formula C13H13NO4 and a molecular weight of 247.25 g/mol. Its IUPAC name is 4-oxo-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)butanoic acid.

Molecular Properties

Compound Name4-oxo-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)butanoic acid
PubChem CID13051762
Molecular FormulaC13H13NO4
Molecular Weight247.25 g/mol
Exact Mass247.08
IUPAC Name4-oxo-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)butanoic acid
SMILESO=C(O)CCC(=O)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C13H13NO4/c15-11(4-6-13(17)18)9-1-3-10-8(7-9)2-5-12(16)14-10/h1,3,7H,2,4-6H2,(H,14,16)(H,17,18)
InChIKeyANWAKYZBSMSPFC-UHFFFAOYSA-N
XLogP1.62
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)butanoic acid?
The IUPAC name of 4-oxo-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)butanoic acid (CID 13051762) is 4-oxo-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)butanoic acid.
What is the SMILES notation for 4-oxo-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)butanoic acid?
The canonical SMILES for 4-oxo-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)butanoic acid is O=C(O)CCC(=O)c1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of 4-oxo-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)butanoic acid?
The InChIKey is ANWAKYZBSMSPFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO4/c15-11(4-6-13(17)18)9-1-3-10-8(7-9)2-5-12(16)14-10/h1,3,7H,2,4-6H2,(H,14,16)(H,17,18).
What are the key properties of 4-oxo-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)butanoic acid?
4-oxo-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)butanoic acid has a molecular weight of 247.25 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)butanoic acid is sourced from PubChem (CID 13051762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).