8-cyano-4-oxo-1H-quinoline-3-carbohydrazide

C11H8N4O2 — CID 53264499

IUPAC8-cyano-4-oxo-1H-quinoline-3-carbohydrazide
SMILESN#Cc1cccc2c(=O)c(C(=O)NN)c[nH]c12
InChIInChI=1S/C11H8N4O2/c12-4-6-2-1-3-7-9(6)14-5-8(10(7)16)11(17)15-13/h1-3,5H,13H2,(H,14,16)(H,15,17)
InChIKeyWRDCKMPLDZSSHA-UHFFFAOYSA-N
MW228.21 g/mol
LogP0.00
Rot. Bonds1

About 8-cyano-4-oxo-1H-quinoline-3-carbohydrazide

8-cyano-4-oxo-1H-quinoline-3-carbohydrazide (PubChem CID 53264499) has the molecular formula C11H8N4O2 and a molecular weight of 228.21 g/mol. Its IUPAC name is 8-cyano-4-oxo-1H-quinoline-3-carbohydrazide.

Molecular Properties

Compound Name8-cyano-4-oxo-1H-quinoline-3-carbohydrazide
PubChem CID53264499
Molecular FormulaC11H8N4O2
Molecular Weight228.21 g/mol
Exact Mass228.06
IUPAC Name8-cyano-4-oxo-1H-quinoline-3-carbohydrazide
SMILESN#Cc1cccc2c(=O)c(C(=O)NN)c[nH]c12
InChIInChI=1S/C11H8N4O2/c12-4-6-2-1-3-7-9(6)14-5-8(10(7)16)11(17)15-13/h1-3,5H,13H2,(H,14,16)(H,15,17)
InChIKeyWRDCKMPLDZSSHA-UHFFFAOYSA-N
XLogP0.00
TPSA111.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.21
LogP ≤ 50.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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'}

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Related Compounds

3-butanoyl-4-oxo-1H-quinoline-8-carbonitrile
CID 164662856
3-(2-methylpropanoyl)-1H-indole-7-carbonitrile
CID 83885759
4-oxo-1H-quinoline-3,7-dicarbohydrazide
CID 43839929
8-iodo-4-oxo-1H-quinoline-3-carbonitrile
CID 28978423
8-methyl-N'-(4-methylbenzoyl)-4-oxo-1H-quinoline-3-carbohydrazide
CID 176514152
4-oxo-1H-benzo[h]quinoline-3-carbonitrile
CID 24695119
8-chloro-6-methyl-4-oxo-1H-quinoline-3-carbohydrazide
CID 121237264
N-cyano-4-oxo-1H-quinoline-3-carboxamide
CID 79195085
methyl 2-(7-cyano-1H-indole-3-carbonyl)-1,3-thiazole-4-carboxylate
CID 147153796
8-chloro-N-[(4-chlorophenyl)methyl]-4-oxo-1H-quinoline-3-carboxamide
CID 10427772
8-bromo-4-oxo-1H-quinoline-3-carboxamide
CID 151043662
8-methyl-N-octan-2-yl-4-oxo-1H-quinoline-3-carboxamide
CID 166326762

Frequently Asked Questions

What is the IUPAC name of 8-cyano-4-oxo-1H-quinoline-3-carbohydrazide?
The IUPAC name of 8-cyano-4-oxo-1H-quinoline-3-carbohydrazide (CID 53264499) is 8-cyano-4-oxo-1H-quinoline-3-carbohydrazide.
What is the SMILES notation for 8-cyano-4-oxo-1H-quinoline-3-carbohydrazide?
The canonical SMILES for 8-cyano-4-oxo-1H-quinoline-3-carbohydrazide is N#Cc1cccc2c(=O)c(C(=O)NN)c[nH]c12.
What is the InChIKey of 8-cyano-4-oxo-1H-quinoline-3-carbohydrazide?
The InChIKey is WRDCKMPLDZSSHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4O2/c12-4-6-2-1-3-7-9(6)14-5-8(10(7)16)11(17)15-13/h1-3,5H,13H2,(H,14,16)(H,15,17).
What are the key properties of 8-cyano-4-oxo-1H-quinoline-3-carbohydrazide?
8-cyano-4-oxo-1H-quinoline-3-carbohydrazide has a molecular weight of 228.21 g/mol, XLogP of 0.00, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyano-4-oxo-1H-quinoline-3-carbohydrazide is sourced from PubChem (CID 53264499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).