4-hydroxy-N'-(2-methylpropanoyl)-2-oxo-1H-quinoline-3-carbohydrazide

C14H15N3O4 — CID 54679536

IUPAC4-hydroxy-N'-(2-methylpropanoyl)-2-oxo-1H-quinoline-3-carbohydrazide
SMILESCC(C)C(=O)NNC(=O)c1c(O)c2ccccc2[nH]c1=O
InChIInChI=1S/C14H15N3O4/c1-7(2)12(19)16-17-14(21)10-11(18)8-5-3-4-6-9(8)15-13(10)20/h3-7H,1-2H3,(H,16,19)(H,17,21)(H2,15,18,20)
InChIKeyAKSUFWJBDHXAEJ-UHFFFAOYSA-N
MW289.29 g/mol
LogP0.65
Rot. Bonds2

About 4-hydroxy-N'-(2-methylpropanoyl)-2-oxo-1H-quinoline-3-carbohydrazide

4-hydroxy-N'-(2-methylpropanoyl)-2-oxo-1H-quinoline-3-carbohydrazide (PubChem CID 54679536) has the molecular formula C14H15N3O4 and a molecular weight of 289.29 g/mol. Its IUPAC name is 4-hydroxy-N'-(2-methylpropanoyl)-2-oxo-1H-quinoline-3-carbohydrazide.

Molecular Properties

Compound Name4-hydroxy-N'-(2-methylpropanoyl)-2-oxo-1H-quinoline-3-carbohydrazide
PubChem CID54679536
Molecular FormulaC14H15N3O4
Molecular Weight289.29 g/mol
Exact Mass289.11
IUPAC Name4-hydroxy-N'-(2-methylpropanoyl)-2-oxo-1H-quinoline-3-carbohydrazide
SMILESCC(C)C(=O)NNC(=O)c1c(O)c2ccccc2[nH]c1=O
InChIInChI=1S/C14H15N3O4/c1-7(2)12(19)16-17-14(21)10-11(18)8-5-3-4-6-9(8)15-13(10)20/h3-7H,1-2H3,(H,16,19)(H,17,21)(H2,15,18,20)
InChIKeyAKSUFWJBDHXAEJ-UHFFFAOYSA-N
XLogP0.65
TPSA111.29 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 50.65
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 4-hydroxy-N'-(2-methylpropanoyl)-2-oxo-1H-quinoline-3-carbohydrazide?
The IUPAC name of 4-hydroxy-N'-(2-methylpropanoyl)-2-oxo-1H-quinoline-3-carbohydrazide (CID 54679536) is 4-hydroxy-N'-(2-methylpropanoyl)-2-oxo-1H-quinoline-3-carbohydrazide.
What is the SMILES notation for 4-hydroxy-N'-(2-methylpropanoyl)-2-oxo-1H-quinoline-3-carbohydrazide?
The canonical SMILES for 4-hydroxy-N'-(2-methylpropanoyl)-2-oxo-1H-quinoline-3-carbohydrazide is CC(C)C(=O)NNC(=O)c1c(O)c2ccccc2[nH]c1=O.
What is the InChIKey of 4-hydroxy-N'-(2-methylpropanoyl)-2-oxo-1H-quinoline-3-carbohydrazide?
The InChIKey is AKSUFWJBDHXAEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O4/c1-7(2)12(19)16-17-14(21)10-11(18)8-5-3-4-6-9(8)15-13(10)20/h3-7H,1-2H3,(H,16,19)(H,17,21)(H2,15,18,20).
What are the key properties of 4-hydroxy-N'-(2-methylpropanoyl)-2-oxo-1H-quinoline-3-carbohydrazide?
4-hydroxy-N'-(2-methylpropanoyl)-2-oxo-1H-quinoline-3-carbohydrazide has a molecular weight of 289.29 g/mol, XLogP of 0.65, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N'-(2-methylpropanoyl)-2-oxo-1H-quinoline-3-carbohydrazide is sourced from PubChem (CID 54679536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).