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

C21H15N3O2 — CID 135770163

IUPAC3-[(E)-(4-hydroxyphenyl)methylideneamino]-2-phenylquinazolin-4-one
SMILESO=c1c2ccccc2nc(-c2ccccc2)n1/N=C/c1ccc(O)cc1
InChIInChI=1S/C21H15N3O2/c25-17-12-10-15(11-13-17)14-22-24-20(16-6-2-1-3-7-16)23-19-9-5-4-8-18(19)21(24)26/h1-14,25H/b22-14+
InChIKeySPRPCTDAERTWHA-HYARGMPZSA-N
MW341.37 g/mol
LogP3.65
Rot. Bonds3

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

3-[(E)-(4-hydroxyphenyl)methylideneamino]-2-phenylquinazolin-4-one (PubChem CID 135770163) has the molecular formula C21H15N3O2 and a molecular weight of 341.37 g/mol. Its IUPAC name is 3-[(E)-(4-hydroxyphenyl)methylideneamino]-2-phenylquinazolin-4-one.

Molecular Properties

Compound Name3-[(E)-(4-hydroxyphenyl)methylideneamino]-2-phenylquinazolin-4-one
PubChem CID135770163
Molecular FormulaC21H15N3O2
Molecular Weight341.37 g/mol
Exact Mass341.12
IUPAC Name3-[(E)-(4-hydroxyphenyl)methylideneamino]-2-phenylquinazolin-4-one
SMILESO=c1c2ccccc2nc(-c2ccccc2)n1/N=C/c1ccc(O)cc1
InChIInChI=1S/C21H15N3O2/c25-17-12-10-15(11-13-17)14-22-24-20(16-6-2-1-3-7-16)23-19-9-5-4-8-18(19)21(24)26/h1-14,25H/b22-14+
InChIKeySPRPCTDAERTWHA-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_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4(3H)-Quinazolinone, 2-(2-hydroxyphenyl)-
CID 135458774
2-(4'-Hydroxyphenyl)quinazolin-4(3H)-one (2)
CID 135405744
2-(4-Hydroxy-phenyl)-8-methyl-3H-quinazolin-4-one
CID 135471354
3-(4-hydroxyphenyl)-2-[(E)-2-phenylethenyl]quinazolin-4-one
CID 5909322
4(3H)-Quinazolinone, 3-(((4-methoxyphenyl)methylene)amino)-2-phenyl-
CID 9571030
3-{[(E)-(2-hydroxyphenyl)methylidene]amino}-2-phenyl-4(3H)-quinazolinone
CID 135539638
2-(3-hydroxyphenyl)quinazolin-4(3H)-one
CID 135567246
3-[(2,4-dihydroxybenzylidene)amino]-2-methyl-4(3H)-quinazolinone
CID 135433285
3-(2-Hydroxyphenyl)-2-phenylquinazolin-4-one
CID 708942
3-{[(2-Hydroxyphenyl)methylidene]amino}-2-methyl-3,4-dihydroquinazolin-4-one
CID 135446665
N-(2-{[(2E)-2-(4-hydroxybenzylidene)hydrazinyl]carbonyl}phenyl)benzamide
CID 135625843
3-(2-hydroxyphenyl)-2-[(E)-2-(4-hydroxyphenyl)ethenyl]quinazolin-4(3H)-one
CID 135648109

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-(4-hydroxyphenyl)methylideneamino]-2-phenylquinazolin-4-one?
The IUPAC name of 3-[(E)-(4-hydroxyphenyl)methylideneamino]-2-phenylquinazolin-4-one (CID 135770163) is 3-[(E)-(4-hydroxyphenyl)methylideneamino]-2-phenylquinazolin-4-one.
What is the SMILES notation for 3-[(E)-(4-hydroxyphenyl)methylideneamino]-2-phenylquinazolin-4-one?
The canonical SMILES for 3-[(E)-(4-hydroxyphenyl)methylideneamino]-2-phenylquinazolin-4-one is O=c1c2ccccc2nc(-c2ccccc2)n1/N=C/c1ccc(O)cc1.
What is the InChIKey of 3-[(E)-(4-hydroxyphenyl)methylideneamino]-2-phenylquinazolin-4-one?
The InChIKey is SPRPCTDAERTWHA-HYARGMPZSA-N. The full InChI is InChI=1S/C21H15N3O2/c25-17-12-10-15(11-13-17)14-22-24-20(16-6-2-1-3-7-16)23-19-9-5-4-8-18(19)21(24)26/h1-14,25H/b22-14+.
What are the key properties of 3-[(E)-(4-hydroxyphenyl)methylideneamino]-2-phenylquinazolin-4-one?
3-[(E)-(4-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)-(4-hydroxyphenyl)methylideneamino]-2-phenylquinazolin-4-one is sourced from PubChem (CID 135770163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).