3-benzyl-2-hydrazinylquinazolin-4-one

C15H14N4O — CID 791494

IUPAC3-benzyl-2-hydrazinylquinazolin-4-one
SMILESNNc1nc2ccccc2c(=O)n1Cc1ccccc1
InChIInChI=1S/C15H14N4O/c16-18-15-17-13-9-5-4-8-12(13)14(20)19(15)10-11-6-2-1-3-7-11/h1-9H,10,16H2,(H,17,18)
InChIKeyJQQJIGBDOOKYPC-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.73
Rot. Bonds3

About 3-benzyl-2-hydrazinylquinazolin-4-one

3-benzyl-2-hydrazinylquinazolin-4-one (PubChem CID 791494) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 3-benzyl-2-hydrazinylquinazolin-4-one.

Molecular Properties

Compound Name3-benzyl-2-hydrazinylquinazolin-4-one
PubChem CID791494
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name3-benzyl-2-hydrazinylquinazolin-4-one
SMILESNNc1nc2ccccc2c(=O)n1Cc1ccccc1
InChIInChI=1S/C15H14N4O/c16-18-15-17-13-9-5-4-8-12(13)14(20)19(15)10-11-6-2-1-3-7-11/h1-9H,10,16H2,(H,17,18)
InChIKeyJQQJIGBDOOKYPC-UHFFFAOYSA-N
XLogP1.73
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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 3-benzyl-2-hydrazinylquinazolin-4-one?
The IUPAC name of 3-benzyl-2-hydrazinylquinazolin-4-one (CID 791494) is 3-benzyl-2-hydrazinylquinazolin-4-one.
What is the SMILES notation for 3-benzyl-2-hydrazinylquinazolin-4-one?
The canonical SMILES for 3-benzyl-2-hydrazinylquinazolin-4-one is NNc1nc2ccccc2c(=O)n1Cc1ccccc1.
What is the InChIKey of 3-benzyl-2-hydrazinylquinazolin-4-one?
The InChIKey is JQQJIGBDOOKYPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c16-18-15-17-13-9-5-4-8-12(13)14(20)19(15)10-11-6-2-1-3-7-11/h1-9H,10,16H2,(H,17,18).
What are the key properties of 3-benzyl-2-hydrazinylquinazolin-4-one?
3-benzyl-2-hydrazinylquinazolin-4-one has a molecular weight of 266.30 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-2-hydrazinylquinazolin-4-one is sourced from PubChem (CID 791494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).