4-oxo-1H-quinoline-3,7-dicarbohydrazide

C11H11N5O3 — CID 43839929

IUPAC4-oxo-1H-quinoline-3,7-dicarbohydrazide
SMILESNNC(=O)c1ccc2c(=O)c(C(=O)NN)c[nH]c2c1
InChIInChI=1S/C11H11N5O3/c12-15-10(18)5-1-2-6-8(3-5)14-4-7(9(6)17)11(19)16-13/h1-4H,12-13H2,(H,14,17)(H,15,18)(H,16,19)
InChIKeyFZOKEFUYXXTGSO-UHFFFAOYSA-N
MW261.24 g/mol
LogP-1.26
Rot. Bonds2

About 4-oxo-1H-quinoline-3,7-dicarbohydrazide

4-oxo-1H-quinoline-3,7-dicarbohydrazide (PubChem CID 43839929) has the molecular formula C11H11N5O3 and a molecular weight of 261.24 g/mol. Its IUPAC name is 4-oxo-1H-quinoline-3,7-dicarbohydrazide.

Molecular Properties

Compound Name4-oxo-1H-quinoline-3,7-dicarbohydrazide
PubChem CID43839929
Molecular FormulaC11H11N5O3
Molecular Weight261.24 g/mol
Exact Mass261.09
IUPAC Name4-oxo-1H-quinoline-3,7-dicarbohydrazide
SMILESNNC(=O)c1ccc2c(=O)c(C(=O)NN)c[nH]c2c1
InChIInChI=1S/C11H11N5O3/c12-15-10(18)5-1-2-6-8(3-5)14-4-7(9(6)17)11(19)16-13/h1-4H,12-13H2,(H,14,17)(H,15,18)(H,16,19)
InChIKeyFZOKEFUYXXTGSO-UHFFFAOYSA-N
XLogP-1.26
TPSA143.10 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 5-1.26
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-oxo-1H-quinoline-3,7-dicarbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-(2-aminoacetyl)-4-oxo-1H-quinoline-3-carboxylic acid
CID 170860986
4-oxo-7-(phenylcarbamoyl)-1H-quinoline-3-carboxylic acid
CID 11500516
6-fluoro-1H-indole-3-carbohydrazide
CID 129321028
6-methoxy-4-oxo-1H-quinoline-3-carbohydrazide
CID 95233454
6,7-diethoxy-4-oxo-1H-quinoline-3-carbohydrazide
CID 50877325
8-cyano-4-oxo-1H-quinoline-3-carbohydrazide
CID 53264499
7-chloro-4-oxo-1H-quinoline-3-carbonyl chloride
CID 54380984
3-amino-1H-indazole-6-carbohydrazide
CID 134128554
2-oxo-3H-1,3-benzoxazole-5-carbohydrazide
CID 116843327
5-bromo-1H-indole-3-carbohydrazide
CID 156904296
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-oxo-1H-quinoline-3-carboxamide
CID 79252594
8-chloro-6-methyl-4-oxo-1H-quinoline-3-carbohydrazide
CID 121237264

Frequently Asked Questions

What is the IUPAC name of 4-oxo-1H-quinoline-3,7-dicarbohydrazide?
The IUPAC name of 4-oxo-1H-quinoline-3,7-dicarbohydrazide (CID 43839929) is 4-oxo-1H-quinoline-3,7-dicarbohydrazide.
What is the SMILES notation for 4-oxo-1H-quinoline-3,7-dicarbohydrazide?
The canonical SMILES for 4-oxo-1H-quinoline-3,7-dicarbohydrazide is NNC(=O)c1ccc2c(=O)c(C(=O)NN)c[nH]c2c1.
What is the InChIKey of 4-oxo-1H-quinoline-3,7-dicarbohydrazide?
The InChIKey is FZOKEFUYXXTGSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O3/c12-15-10(18)5-1-2-6-8(3-5)14-4-7(9(6)17)11(19)16-13/h1-4H,12-13H2,(H,14,17)(H,15,18)(H,16,19).
What are the key properties of 4-oxo-1H-quinoline-3,7-dicarbohydrazide?
4-oxo-1H-quinoline-3,7-dicarbohydrazide has a molecular weight of 261.24 g/mol, XLogP of -1.26, 2 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-1H-quinoline-3,7-dicarbohydrazide is sourced from PubChem (CID 43839929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).