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

C22H17N3O2 — CID 135519203

IUPAC3-[(E)-(4-hydroxyphenyl)methylideneamino]-2-(2-methylphenyl)quinazolin-4-one
SMILESCc1ccccc1-c1nc2ccccc2c(=O)n1/N=C/c1ccc(O)cc1
InChIInChI=1S/C22H17N3O2/c1-15-6-2-3-7-18(15)21-24-20-9-5-4-8-19(20)22(27)25(21)23-14-16-10-12-17(26)13-11-16/h2-14,26H,1H3/b23-14+
InChIKeyPBWXQAVUALPKDK-OEAKJJBVSA-N
MW355.40 g/mol
LogP3.96
Rot. Bonds3

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

3-[(E)-(4-hydroxyphenyl)methylideneamino]-2-(2-methylphenyl)quinazolin-4-one (PubChem CID 135519203) has the molecular formula C22H17N3O2 and a molecular weight of 355.40 g/mol. Its IUPAC name is 3-[(E)-(4-hydroxyphenyl)methylideneamino]-2-(2-methylphenyl)quinazolin-4-one.

Molecular Properties

Compound Name3-[(E)-(4-hydroxyphenyl)methylideneamino]-2-(2-methylphenyl)quinazolin-4-one
PubChem CID135519203
Molecular FormulaC22H17N3O2
Molecular Weight355.40 g/mol
Exact Mass355.13
IUPAC Name3-[(E)-(4-hydroxyphenyl)methylideneamino]-2-(2-methylphenyl)quinazolin-4-one
SMILESCc1ccccc1-c1nc2ccccc2c(=O)n1/N=C/c1ccc(O)cc1
InChIInChI=1S/C22H17N3O2/c1-15-6-2-3-7-18(15)21-24-20-9-5-4-8-19(20)22(27)25(21)23-14-16-10-12-17(26)13-11-16/h2-14,26H,1H3/b23-14+
InChIKeyPBWXQAVUALPKDK-OEAKJJBVSA-N
XLogP3.96
TPSA67.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 53.96
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'}

Analyze 3-[(E)-(4-hydroxyphenyl)methylideneamino]-2-(2-methylphenyl)quinazolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(4-hydroxyphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 765405
[4-[(4-oxo-2-phenylquinazolin-3-yl)iminomethyl]phenyl] acetate
CID 126405316
2-phenyl-3-(pyridin-4-ylmethylideneamino)quinazolin-4-one
CID 4025421
3-[(E)-(4-bromophenyl)methylideneamino]-2-methylquinazolin-4-one
CID 6863150
3-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-phenylquinazolin-4-one
CID 135770164
3-[(2-hydroxy-3-methylphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 936423
3-[(3,4-dihydroxyphenyl)methylideneamino]-2-[(2-methylphenoxy)methyl]quinazolin-4-one
CID 1388574
3-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-(4-methylphenyl)quinazolin-4-one
CID 137283573
3-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-[(2-methylphenoxy)methyl]quinazolin-4-one
CID 6863529
6-bromo-3-[(4-hydroxyphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 137125807
6-bromo-3-[(E)-(4-hydroxyphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 135926154
3-[[4-(dimethylamino)phenyl]methylideneamino]-2-phenylquinazolin-4-one;3-(furan-3-ylmethylideneamino)-2-phenylquinazolin-4-one
CID 67601940

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-(4-hydroxyphenyl)methylideneamino]-2-(2-methylphenyl)quinazolin-4-one?
The IUPAC name of 3-[(E)-(4-hydroxyphenyl)methylideneamino]-2-(2-methylphenyl)quinazolin-4-one (CID 135519203) is 3-[(E)-(4-hydroxyphenyl)methylideneamino]-2-(2-methylphenyl)quinazolin-4-one.
What is the SMILES notation for 3-[(E)-(4-hydroxyphenyl)methylideneamino]-2-(2-methylphenyl)quinazolin-4-one?
The canonical SMILES for 3-[(E)-(4-hydroxyphenyl)methylideneamino]-2-(2-methylphenyl)quinazolin-4-one is Cc1ccccc1-c1nc2ccccc2c(=O)n1/N=C/c1ccc(O)cc1.
What is the InChIKey of 3-[(E)-(4-hydroxyphenyl)methylideneamino]-2-(2-methylphenyl)quinazolin-4-one?
The InChIKey is PBWXQAVUALPKDK-OEAKJJBVSA-N. The full InChI is InChI=1S/C22H17N3O2/c1-15-6-2-3-7-18(15)21-24-20-9-5-4-8-19(20)22(27)25(21)23-14-16-10-12-17(26)13-11-16/h2-14,26H,1H3/b23-14+.
What are the key properties of 3-[(E)-(4-hydroxyphenyl)methylideneamino]-2-(2-methylphenyl)quinazolin-4-one?
3-[(E)-(4-hydroxyphenyl)methylideneamino]-2-(2-methylphenyl)quinazolin-4-one has a molecular weight of 355.40 g/mol, XLogP of 3.96, 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-(2-methylphenyl)quinazolin-4-one is sourced from PubChem (CID 135519203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).