2-aminoquinoline-3-carbohydrazide

C10H10N4O — CID 83381257

IUPAC2-aminoquinoline-3-carbohydrazide
SMILESNNC(=O)c1cc2ccccc2nc1N
InChIInChI=1S/C10H10N4O/c11-9-7(10(15)14-12)5-6-3-1-2-4-8(6)13-9/h1-5H,12H2,(H2,11,13)(H,14,15)
InChIKeyWKEBFUNCKYHNKT-UHFFFAOYSA-N
MW202.22 g/mol
LogP0.42
Rot. Bonds1

About 2-aminoquinoline-3-carbohydrazide

2-aminoquinoline-3-carbohydrazide (PubChem CID 83381257) has the molecular formula C10H10N4O and a molecular weight of 202.22 g/mol. Its IUPAC name is 2-aminoquinoline-3-carbohydrazide.

Molecular Properties

Compound Name2-aminoquinoline-3-carbohydrazide
PubChem CID83381257
Molecular FormulaC10H10N4O
Molecular Weight202.22 g/mol
Exact Mass202.09
IUPAC Name2-aminoquinoline-3-carbohydrazide
SMILESNNC(=O)c1cc2ccccc2nc1N
InChIInChI=1S/C10H10N4O/c11-9-7(10(15)14-12)5-6-3-1-2-4-8(6)13-9/h1-5H,12H2,(H2,11,13)(H,14,15)
InChIKeyWKEBFUNCKYHNKT-UHFFFAOYSA-N
XLogP0.42
TPSA94.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.22
LogP ≤ 50.42
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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Frequently Asked Questions

What is the IUPAC name of 2-aminoquinoline-3-carbohydrazide?
The IUPAC name of 2-aminoquinoline-3-carbohydrazide (CID 83381257) is 2-aminoquinoline-3-carbohydrazide.
What is the SMILES notation for 2-aminoquinoline-3-carbohydrazide?
The canonical SMILES for 2-aminoquinoline-3-carbohydrazide is NNC(=O)c1cc2ccccc2nc1N.
What is the InChIKey of 2-aminoquinoline-3-carbohydrazide?
The InChIKey is WKEBFUNCKYHNKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O/c11-9-7(10(15)14-12)5-6-3-1-2-4-8(6)13-9/h1-5H,12H2,(H2,11,13)(H,14,15).
What are the key properties of 2-aminoquinoline-3-carbohydrazide?
2-aminoquinoline-3-carbohydrazide has a molecular weight of 202.22 g/mol, XLogP of 0.42, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoquinoline-3-carbohydrazide is sourced from PubChem (CID 83381257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).