2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)propanoic acid

C12H13NO4 — CID 81107720

IUPAC2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)propanoic acid
SMILESCC(C(=O)O)n1c2c(ccc1=O)C(=O)CCC2
InChIInChI=1S/C12H13NO4/c1-7(12(16)17)13-9-3-2-4-10(14)8(9)5-6-11(13)15/h5-7H,2-4H2,1H3,(H,16,17)
InChIKeyQMJRNMMVEBBQSH-UHFFFAOYSA-N
MW235.24 g/mol
LogP1.01
Rot. Bonds2

About 2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)propanoic acid

2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)propanoic acid (PubChem CID 81107720) has the molecular formula C12H13NO4 and a molecular weight of 235.24 g/mol. Its IUPAC name is 2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)propanoic acid.

Molecular Properties

Compound Name2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)propanoic acid
PubChem CID81107720
Molecular FormulaC12H13NO4
Molecular Weight235.24 g/mol
Exact Mass235.08
IUPAC Name2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)propanoic acid
SMILESCC(C(=O)O)n1c2c(ccc1=O)C(=O)CCC2
InChIInChI=1S/C12H13NO4/c1-7(12(16)17)13-9-3-2-4-10(14)8(9)5-6-11(13)15/h5-7H,2-4H2,1H3,(H,16,17)
InChIKeyQMJRNMMVEBBQSH-UHFFFAOYSA-N
XLogP1.01
TPSA76.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)propanoic acid?
The IUPAC name of 2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)propanoic acid (CID 81107720) is 2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)propanoic acid.
What is the SMILES notation for 2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)propanoic acid?
The canonical SMILES for 2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)propanoic acid is CC(C(=O)O)n1c2c(ccc1=O)C(=O)CCC2.
What is the InChIKey of 2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)propanoic acid?
The InChIKey is QMJRNMMVEBBQSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO4/c1-7(12(16)17)13-9-3-2-4-10(14)8(9)5-6-11(13)15/h5-7H,2-4H2,1H3,(H,16,17).
What are the key properties of 2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)propanoic acid?
2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)propanoic acid has a molecular weight of 235.24 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxo-7,8-dihydro-6H-quinolin-1-yl)propanoic acid is sourced from PubChem (CID 81107720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).