3-benzyl-6-chloro-2-hydrazinylquinazolin-4-one

C15H13ClN4O — CID 22609425

IUPAC3-benzyl-6-chloro-2-hydrazinylquinazolin-4-one
SMILESNNc1nc2ccc(Cl)cc2c(=O)n1Cc1ccccc1
InChIInChI=1S/C15H13ClN4O/c16-11-6-7-13-12(8-11)14(21)20(15(18-13)19-17)9-10-4-2-1-3-5-10/h1-8H,9,17H2,(H,18,19)
InChIKeyVCBAKVCDHHQJDD-UHFFFAOYSA-N
MW300.75 g/mol
LogP2.38
Rot. Bonds3

About 3-benzyl-6-chloro-2-hydrazinylquinazolin-4-one

3-benzyl-6-chloro-2-hydrazinylquinazolin-4-one (PubChem CID 22609425) has the molecular formula C15H13ClN4O and a molecular weight of 300.75 g/mol. Its IUPAC name is 3-benzyl-6-chloro-2-hydrazinylquinazolin-4-one.

Molecular Properties

Compound Name3-benzyl-6-chloro-2-hydrazinylquinazolin-4-one
PubChem CID22609425
Molecular FormulaC15H13ClN4O
Molecular Weight300.75 g/mol
Exact Mass300.08
IUPAC Name3-benzyl-6-chloro-2-hydrazinylquinazolin-4-one
SMILESNNc1nc2ccc(Cl)cc2c(=O)n1Cc1ccccc1
InChIInChI=1S/C15H13ClN4O/c16-11-6-7-13-12(8-11)14(21)20(15(18-13)19-17)9-10-4-2-1-3-5-10/h1-8H,9,17H2,(H,18,19)
InChIKeyVCBAKVCDHHQJDD-UHFFFAOYSA-N
XLogP2.38
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 52.38
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-6-chloro-2-hydrazinylquinazolin-4-one?
The IUPAC name of 3-benzyl-6-chloro-2-hydrazinylquinazolin-4-one (CID 22609425) is 3-benzyl-6-chloro-2-hydrazinylquinazolin-4-one.
What is the SMILES notation for 3-benzyl-6-chloro-2-hydrazinylquinazolin-4-one?
The canonical SMILES for 3-benzyl-6-chloro-2-hydrazinylquinazolin-4-one is NNc1nc2ccc(Cl)cc2c(=O)n1Cc1ccccc1.
What is the InChIKey of 3-benzyl-6-chloro-2-hydrazinylquinazolin-4-one?
The InChIKey is VCBAKVCDHHQJDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4O/c16-11-6-7-13-12(8-11)14(21)20(15(18-13)19-17)9-10-4-2-1-3-5-10/h1-8H,9,17H2,(H,18,19).
What are the key properties of 3-benzyl-6-chloro-2-hydrazinylquinazolin-4-one?
3-benzyl-6-chloro-2-hydrazinylquinazolin-4-one has a molecular weight of 300.75 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-6-chloro-2-hydrazinylquinazolin-4-one is sourced from PubChem (CID 22609425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).