4-oxo-4-[2-(quinoline-3-carbonyl)hydrazinyl]butanoic acid

C14H13N3O4 — CID 71515447

IUPAC4-oxo-4-[2-(quinoline-3-carbonyl)hydrazinyl]butanoic acid
SMILESO=C(O)CCC(=O)NNC(=O)c1cnc2ccccc2c1
InChIInChI=1S/C14H13N3O4/c18-12(5-6-13(19)20)16-17-14(21)10-7-9-3-1-2-4-11(9)15-8-10/h1-4,7-8H,5-6H2,(H,16,18)(H,17,21)(H,19,20)
InChIKeyVOEJCZIQOYCKOM-UHFFFAOYSA-N
MW287.28 g/mol
LogP0.86
Rot. Bonds4

About 4-oxo-4-[2-(quinoline-3-carbonyl)hydrazinyl]butanoic acid

4-oxo-4-[2-(quinoline-3-carbonyl)hydrazinyl]butanoic acid (PubChem CID 71515447) has the molecular formula C14H13N3O4 and a molecular weight of 287.28 g/mol. Its IUPAC name is 4-oxo-4-[2-(quinoline-3-carbonyl)hydrazinyl]butanoic acid.

Molecular Properties

Compound Name4-oxo-4-[2-(quinoline-3-carbonyl)hydrazinyl]butanoic acid
PubChem CID71515447
Molecular FormulaC14H13N3O4
Molecular Weight287.28 g/mol
Exact Mass287.09
IUPAC Name4-oxo-4-[2-(quinoline-3-carbonyl)hydrazinyl]butanoic acid
SMILESO=C(O)CCC(=O)NNC(=O)c1cnc2ccccc2c1
InChIInChI=1S/C14H13N3O4/c18-12(5-6-13(19)20)16-17-14(21)10-7-9-3-1-2-4-11(9)15-8-10/h1-4,7-8H,5-6H2,(H,16,18)(H,17,21)(H,19,20)
InChIKeyVOEJCZIQOYCKOM-UHFFFAOYSA-N
XLogP0.86
TPSA108.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-4-[2-(quinoline-3-carbonyl)hydrazinyl]butanoic acid?
The IUPAC name of 4-oxo-4-[2-(quinoline-3-carbonyl)hydrazinyl]butanoic acid (CID 71515447) is 4-oxo-4-[2-(quinoline-3-carbonyl)hydrazinyl]butanoic acid.
What is the SMILES notation for 4-oxo-4-[2-(quinoline-3-carbonyl)hydrazinyl]butanoic acid?
The canonical SMILES for 4-oxo-4-[2-(quinoline-3-carbonyl)hydrazinyl]butanoic acid is O=C(O)CCC(=O)NNC(=O)c1cnc2ccccc2c1.
What is the InChIKey of 4-oxo-4-[2-(quinoline-3-carbonyl)hydrazinyl]butanoic acid?
The InChIKey is VOEJCZIQOYCKOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O4/c18-12(5-6-13(19)20)16-17-14(21)10-7-9-3-1-2-4-11(9)15-8-10/h1-4,7-8H,5-6H2,(H,16,18)(H,17,21)(H,19,20).
What are the key properties of 4-oxo-4-[2-(quinoline-3-carbonyl)hydrazinyl]butanoic acid?
4-oxo-4-[2-(quinoline-3-carbonyl)hydrazinyl]butanoic acid has a molecular weight of 287.28 g/mol, XLogP of 0.86, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-4-[2-(quinoline-3-carbonyl)hydrazinyl]butanoic acid is sourced from PubChem (CID 71515447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).