[(4-oxo-1H-quinoline-2-carbonyl)amino] butanoate

C14H14N2O4 — CID 154170770

IUPAC[(4-oxo-1H-quinoline-2-carbonyl)amino] butanoate
SMILESCCCC(=O)ONC(=O)c1cc(=O)c2ccccc2[nH]1
InChIInChI=1S/C14H14N2O4/c1-2-5-13(18)20-16-14(19)11-8-12(17)9-6-3-4-7-10(9)15-11/h3-4,6-8H,2,5H2,1H3,(H,15,17)(H,16,19)
InChIKeyHBTRINCRHMXRBX-UHFFFAOYSA-N
MW274.28 g/mol
LogP1.52
Rot. Bonds3

About [(4-oxo-1H-quinoline-2-carbonyl)amino] butanoate

[(4-oxo-1H-quinoline-2-carbonyl)amino] butanoate (PubChem CID 154170770) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is [(4-oxo-1H-quinoline-2-carbonyl)amino] butanoate.

Molecular Properties

Compound Name[(4-oxo-1H-quinoline-2-carbonyl)amino] butanoate
PubChem CID154170770
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Name[(4-oxo-1H-quinoline-2-carbonyl)amino] butanoate
SMILESCCCC(=O)ONC(=O)c1cc(=O)c2ccccc2[nH]1
InChIInChI=1S/C14H14N2O4/c1-2-5-13(18)20-16-14(19)11-8-12(17)9-6-3-4-7-10(9)15-11/h3-4,6-8H,2,5H2,1H3,(H,15,17)(H,16,19)
InChIKeyHBTRINCRHMXRBX-UHFFFAOYSA-N
XLogP1.52
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [(4-oxo-1H-quinoline-2-carbonyl)amino] butanoate 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 [(4-oxo-1H-quinoline-2-carbonyl)amino] butanoate?
The IUPAC name of [(4-oxo-1H-quinoline-2-carbonyl)amino] butanoate (CID 154170770) is [(4-oxo-1H-quinoline-2-carbonyl)amino] butanoate.
What is the SMILES notation for [(4-oxo-1H-quinoline-2-carbonyl)amino] butanoate?
The canonical SMILES for [(4-oxo-1H-quinoline-2-carbonyl)amino] butanoate is CCCC(=O)ONC(=O)c1cc(=O)c2ccccc2[nH]1.
What is the InChIKey of [(4-oxo-1H-quinoline-2-carbonyl)amino] butanoate?
The InChIKey is HBTRINCRHMXRBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c1-2-5-13(18)20-16-14(19)11-8-12(17)9-6-3-4-7-10(9)15-11/h3-4,6-8H,2,5H2,1H3,(H,15,17)(H,16,19).
What are the key properties of [(4-oxo-1H-quinoline-2-carbonyl)amino] butanoate?
[(4-oxo-1H-quinoline-2-carbonyl)amino] butanoate has a molecular weight of 274.28 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-oxo-1H-quinoline-2-carbonyl)amino] butanoate is sourced from PubChem (CID 154170770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).