4-(2-amino-4-hydrazinylquinazolin-6-yl)benzamide

C15H14N6O — CID 69013612

IUPAC4-(2-amino-4-hydrazinylquinazolin-6-yl)benzamide
SMILESNNc1nc(N)nc2ccc(-c3ccc(C(N)=O)cc3)cc12
InChIInChI=1S/C15H14N6O/c16-13(22)9-3-1-8(2-4-9)10-5-6-12-11(7-10)14(21-18)20-15(17)19-12/h1-7H,18H2,(H2,16,22)(H3,17,19,20,21)
InChIKeyXKOZLRKRYORWFE-UHFFFAOYSA-N
MW294.32 g/mol
LogP1.26
Rot. Bonds3

About 4-(2-amino-4-hydrazinylquinazolin-6-yl)benzamide

4-(2-amino-4-hydrazinylquinazolin-6-yl)benzamide (PubChem CID 69013612) has the molecular formula C15H14N6O and a molecular weight of 294.32 g/mol. Its IUPAC name is 4-(2-amino-4-hydrazinylquinazolin-6-yl)benzamide.

Molecular Properties

Compound Name4-(2-amino-4-hydrazinylquinazolin-6-yl)benzamide
PubChem CID69013612
Molecular FormulaC15H14N6O
Molecular Weight294.32 g/mol
Exact Mass294.12
IUPAC Name4-(2-amino-4-hydrazinylquinazolin-6-yl)benzamide
SMILESNNc1nc(N)nc2ccc(-c3ccc(C(N)=O)cc3)cc12
InChIInChI=1S/C15H14N6O/c16-13(22)9-3-1-8(2-4-9)10-5-6-12-11(7-10)14(21-18)20-15(17)19-12/h1-7H,18H2,(H2,16,22)(H3,17,19,20,21)
InChIKeyXKOZLRKRYORWFE-UHFFFAOYSA-N
XLogP1.26
TPSA132.94 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.32
LogP ≤ 51.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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 4-(2-amino-4-hydrazinylquinazolin-6-yl)benzamide?
The IUPAC name of 4-(2-amino-4-hydrazinylquinazolin-6-yl)benzamide (CID 69013612) is 4-(2-amino-4-hydrazinylquinazolin-6-yl)benzamide.
What is the SMILES notation for 4-(2-amino-4-hydrazinylquinazolin-6-yl)benzamide?
The canonical SMILES for 4-(2-amino-4-hydrazinylquinazolin-6-yl)benzamide is NNc1nc(N)nc2ccc(-c3ccc(C(N)=O)cc3)cc12.
What is the InChIKey of 4-(2-amino-4-hydrazinylquinazolin-6-yl)benzamide?
The InChIKey is XKOZLRKRYORWFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6O/c16-13(22)9-3-1-8(2-4-9)10-5-6-12-11(7-10)14(21-18)20-15(17)19-12/h1-7H,18H2,(H2,16,22)(H3,17,19,20,21).
What are the key properties of 4-(2-amino-4-hydrazinylquinazolin-6-yl)benzamide?
4-(2-amino-4-hydrazinylquinazolin-6-yl)benzamide has a molecular weight of 294.32 g/mol, XLogP of 1.26, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-4-hydrazinylquinazolin-6-yl)benzamide is sourced from PubChem (CID 69013612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).