6-methyl-2-oxo-1H-quinoline-4-carbohydrazide

C11H11N3O2 — CID 3834457

IUPAC6-methyl-2-oxo-1H-quinoline-4-carbohydrazide
SMILESCc1ccc2[nH]c(=O)cc(C(=O)NN)c2c1
InChIInChI=1S/C11H11N3O2/c1-6-2-3-9-7(4-6)8(11(16)14-12)5-10(15)13-9/h2-5H,12H2,1H3,(H,13,15)(H,14,16)
InChIKeyBAPIDDPDOWKYFC-UHFFFAOYSA-N
MW217.23 g/mol
LogP0.44
Rot. Bonds1

About 6-methyl-2-oxo-1H-quinoline-4-carbohydrazide

6-methyl-2-oxo-1H-quinoline-4-carbohydrazide (PubChem CID 3834457) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is 6-methyl-2-oxo-1H-quinoline-4-carbohydrazide.

Molecular Properties

Compound Name6-methyl-2-oxo-1H-quinoline-4-carbohydrazide
PubChem CID3834457
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Name6-methyl-2-oxo-1H-quinoline-4-carbohydrazide
SMILESCc1ccc2[nH]c(=O)cc(C(=O)NN)c2c1
InChIInChI=1S/C11H11N3O2/c1-6-2-3-9-7(4-6)8(11(16)14-12)5-10(15)13-9/h2-5H,12H2,1H3,(H,13,15)(H,14,16)
InChIKeyBAPIDDPDOWKYFC-UHFFFAOYSA-N
XLogP0.44
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-oxo-1H-quinoline-4-carbohydrazide?
The IUPAC name of 6-methyl-2-oxo-1H-quinoline-4-carbohydrazide (CID 3834457) is 6-methyl-2-oxo-1H-quinoline-4-carbohydrazide.
What is the SMILES notation for 6-methyl-2-oxo-1H-quinoline-4-carbohydrazide?
The canonical SMILES for 6-methyl-2-oxo-1H-quinoline-4-carbohydrazide is Cc1ccc2[nH]c(=O)cc(C(=O)NN)c2c1.
What is the InChIKey of 6-methyl-2-oxo-1H-quinoline-4-carbohydrazide?
The InChIKey is BAPIDDPDOWKYFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c1-6-2-3-9-7(4-6)8(11(16)14-12)5-10(15)13-9/h2-5H,12H2,1H3,(H,13,15)(H,14,16).
What are the key properties of 6-methyl-2-oxo-1H-quinoline-4-carbohydrazide?
6-methyl-2-oxo-1H-quinoline-4-carbohydrazide has a molecular weight of 217.23 g/mol, XLogP of 0.44, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-oxo-1H-quinoline-4-carbohydrazide is sourced from PubChem (CID 3834457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).