[(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'}

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Related Compounds

N-ethyl-4-oxo-1H-quinoline-2-carboxamide
CID 47115379
(2S)-2-[(4-oxo-1H-quinoline-2-carbonyl)amino]pentanoic acid
CID 107564052
(2S)-2-[(4-oxo-1H-quinoline-2-carbonyl)amino]pentanedioic acid
CID 151134503
(2R)-2-[(4-oxo-1H-quinoline-2-carbonyl)amino]propanoic acid
CID 54991567
acetamide;4-oxo-1H-quinoline-2-carboxylic acid
CID 160920347
diethyl 3-methyl-2-(4-oxo-1H-quinolin-2-yl)pentanedioate
CID 10617502
4-oxo-N-[(2,4,6-trimethylphenyl)methyl]-1H-quinoline-2-carboxamide
CID 51091615
prop-2-enyl 4-oxo-1H-quinoline-2-carboxylate
CID 67639122
3-[methyl-(4-oxo-1H-quinoline-2-carbonyl)amino]propanoic acid
CID 60989084
[2-(2-methoxyethylamino)-2-oxoethyl] 4-oxo-1H-quinoline-2-carboxylate
CID 7507078
4-oxo-N-[1-(1H-pyrazol-4-yl)ethyl]-1H-quinoline-2-carboxamide
CID 103856696
2-[2-[(4-oxo-1H-quinoline-2-carbonyl)amino]ethoxy]acetic acid
CID 79469166

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).