N'-butanoyl-4-hydroxy-2-oxo-1H-quinoline-3-carbohydrazide

C14H15N3O4 — CID 54680866

IUPACN'-butanoyl-4-hydroxy-2-oxo-1H-quinoline-3-carbohydrazide
SMILESCCCC(=O)NNC(=O)c1c(O)c2ccccc2[nH]c1=O
InChIInChI=1S/C14H15N3O4/c1-2-5-10(18)16-17-14(21)11-12(19)8-6-3-4-7-9(8)15-13(11)20/h3-4,6-7H,2,5H2,1H3,(H,16,18)(H,17,21)(H2,15,19,20)
InChIKeyJIGIOZKHSPQYQN-UHFFFAOYSA-N
MW289.29 g/mol
LogP0.79
Rot. Bonds3

About N'-butanoyl-4-hydroxy-2-oxo-1H-quinoline-3-carbohydrazide

N'-butanoyl-4-hydroxy-2-oxo-1H-quinoline-3-carbohydrazide (PubChem CID 54680866) has the molecular formula C14H15N3O4 and a molecular weight of 289.29 g/mol. Its IUPAC name is N'-butanoyl-4-hydroxy-2-oxo-1H-quinoline-3-carbohydrazide.

Molecular Properties

Compound NameN'-butanoyl-4-hydroxy-2-oxo-1H-quinoline-3-carbohydrazide
PubChem CID54680866
Molecular FormulaC14H15N3O4
Molecular Weight289.29 g/mol
Exact Mass289.11
IUPAC NameN'-butanoyl-4-hydroxy-2-oxo-1H-quinoline-3-carbohydrazide
SMILESCCCC(=O)NNC(=O)c1c(O)c2ccccc2[nH]c1=O
InChIInChI=1S/C14H15N3O4/c1-2-5-10(18)16-17-14(21)11-12(19)8-6-3-4-7-9(8)15-13(11)20/h3-4,6-7H,2,5H2,1H3,(H,16,18)(H,17,21)(H2,15,19,20)
InChIKeyJIGIOZKHSPQYQN-UHFFFAOYSA-N
XLogP0.79
TPSA111.29 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 50.79
H-Bond Donors ≤ 54
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 N'-butanoyl-4-hydroxy-2-oxo-1H-quinoline-3-carbohydrazide?
The IUPAC name of N'-butanoyl-4-hydroxy-2-oxo-1H-quinoline-3-carbohydrazide (CID 54680866) is N'-butanoyl-4-hydroxy-2-oxo-1H-quinoline-3-carbohydrazide.
What is the SMILES notation for N'-butanoyl-4-hydroxy-2-oxo-1H-quinoline-3-carbohydrazide?
The canonical SMILES for N'-butanoyl-4-hydroxy-2-oxo-1H-quinoline-3-carbohydrazide is CCCC(=O)NNC(=O)c1c(O)c2ccccc2[nH]c1=O.
What is the InChIKey of N'-butanoyl-4-hydroxy-2-oxo-1H-quinoline-3-carbohydrazide?
The InChIKey is JIGIOZKHSPQYQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O4/c1-2-5-10(18)16-17-14(21)11-12(19)8-6-3-4-7-9(8)15-13(11)20/h3-4,6-7H,2,5H2,1H3,(H,16,18)(H,17,21)(H2,15,19,20).
What are the key properties of N'-butanoyl-4-hydroxy-2-oxo-1H-quinoline-3-carbohydrazide?
N'-butanoyl-4-hydroxy-2-oxo-1H-quinoline-3-carbohydrazide has a molecular weight of 289.29 g/mol, XLogP of 0.79, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butanoyl-4-hydroxy-2-oxo-1H-quinoline-3-carbohydrazide is sourced from PubChem (CID 54680866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).