3-[(E)-(2-hydroxyphenyl)methylideneamino]-2-phenylquinazolin-4-one

C21H15N3O2 — CID 135539638

IUPAC3-[(E)-(2-hydroxyphenyl)methylideneamino]-2-phenylquinazolin-4-one
SMILESO=c1c2ccccc2nc(-c2ccccc2)n1/N=C/c1ccccc1O
InChIInChI=1S/C21H15N3O2/c25-19-13-7-4-10-16(19)14-22-24-20(15-8-2-1-3-9-15)23-18-12-6-5-11-17(18)21(24)26/h1-14,25H/b22-14+
InChIKeyMQMJSASATWYVEJ-HYARGMPZSA-N
MW341.37 g/mol
LogP3.65
Rot. Bonds3

About 3-[(E)-(2-hydroxyphenyl)methylideneamino]-2-phenylquinazolin-4-one

3-[(E)-(2-hydroxyphenyl)methylideneamino]-2-phenylquinazolin-4-one (PubChem CID 135539638) has the molecular formula C21H15N3O2 and a molecular weight of 341.37 g/mol. Its IUPAC name is 3-[(E)-(2-hydroxyphenyl)methylideneamino]-2-phenylquinazolin-4-one.

Molecular Properties

Compound Name3-[(E)-(2-hydroxyphenyl)methylideneamino]-2-phenylquinazolin-4-one
PubChem CID135539638
Molecular FormulaC21H15N3O2
Molecular Weight341.37 g/mol
Exact Mass341.12
IUPAC Name3-[(E)-(2-hydroxyphenyl)methylideneamino]-2-phenylquinazolin-4-one
SMILESO=c1c2ccccc2nc(-c2ccccc2)n1/N=C/c1ccccc1O
InChIInChI=1S/C21H15N3O2/c25-19-13-7-4-10-16(19)14-22-24-20(15-8-2-1-3-9-15)23-18-12-6-5-11-17(18)21(24)26/h1-14,25H/b22-14+
InChIKeyMQMJSASATWYVEJ-HYARGMPZSA-N
XLogP3.65
TPSA67.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-(2-hydroxyphenyl)methylideneamino]-2-phenylquinazolin-4-one?
The IUPAC name of 3-[(E)-(2-hydroxyphenyl)methylideneamino]-2-phenylquinazolin-4-one (CID 135539638) is 3-[(E)-(2-hydroxyphenyl)methylideneamino]-2-phenylquinazolin-4-one.
What is the SMILES notation for 3-[(E)-(2-hydroxyphenyl)methylideneamino]-2-phenylquinazolin-4-one?
The canonical SMILES for 3-[(E)-(2-hydroxyphenyl)methylideneamino]-2-phenylquinazolin-4-one is O=c1c2ccccc2nc(-c2ccccc2)n1/N=C/c1ccccc1O.
What is the InChIKey of 3-[(E)-(2-hydroxyphenyl)methylideneamino]-2-phenylquinazolin-4-one?
The InChIKey is MQMJSASATWYVEJ-HYARGMPZSA-N. The full InChI is InChI=1S/C21H15N3O2/c25-19-13-7-4-10-16(19)14-22-24-20(15-8-2-1-3-9-15)23-18-12-6-5-11-17(18)21(24)26/h1-14,25H/b22-14+.
What are the key properties of 3-[(E)-(2-hydroxyphenyl)methylideneamino]-2-phenylquinazolin-4-one?
3-[(E)-(2-hydroxyphenyl)methylideneamino]-2-phenylquinazolin-4-one has a molecular weight of 341.37 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-(2-hydroxyphenyl)methylideneamino]-2-phenylquinazolin-4-one is sourced from PubChem (CID 135539638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).