3-[(E)-(4-methoxyphenyl)methylideneamino]-2-methylquinazolin-4-one

C17H15N3O2 — CID 6869244

IUPAC3-[(E)-(4-methoxyphenyl)methylideneamino]-2-methylquinazolin-4-one
SMILESCOc1ccc(/C=N/n2c(C)nc3ccccc3c2=O)cc1
InChIInChI=1S/C17H15N3O2/c1-12-19-16-6-4-3-5-15(16)17(21)20(12)18-11-13-7-9-14(22-2)10-8-13/h3-11H,1-2H3/b18-11+
InChIKeyRGBOVXWSXCIOLZ-WOJGMQOQSA-N
MW293.33 g/mol
LogP2.60
Rot. Bonds3

About 3-[(E)-(4-methoxyphenyl)methylideneamino]-2-methylquinazolin-4-one

3-[(E)-(4-methoxyphenyl)methylideneamino]-2-methylquinazolin-4-one (PubChem CID 6869244) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is 3-[(E)-(4-methoxyphenyl)methylideneamino]-2-methylquinazolin-4-one.

Molecular Properties

Compound Name3-[(E)-(4-methoxyphenyl)methylideneamino]-2-methylquinazolin-4-one
PubChem CID6869244
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Name3-[(E)-(4-methoxyphenyl)methylideneamino]-2-methylquinazolin-4-one
SMILESCOc1ccc(/C=N/n2c(C)nc3ccccc3c2=O)cc1
InChIInChI=1S/C17H15N3O2/c1-12-19-16-6-4-3-5-15(16)17(21)20(12)18-11-13-7-9-14(22-2)10-8-13/h3-11H,1-2H3/b18-11+
InChIKeyRGBOVXWSXCIOLZ-WOJGMQOQSA-N
XLogP2.60
TPSA56.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 3-[(E)-(4-methoxyphenyl)methylideneamino]-2-methylquinazolin-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

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-(4-methoxyphenyl)methylideneamino]-2-methylquinazolin-4-one?
The IUPAC name of 3-[(E)-(4-methoxyphenyl)methylideneamino]-2-methylquinazolin-4-one (CID 6869244) is 3-[(E)-(4-methoxyphenyl)methylideneamino]-2-methylquinazolin-4-one.
What is the SMILES notation for 3-[(E)-(4-methoxyphenyl)methylideneamino]-2-methylquinazolin-4-one?
The canonical SMILES for 3-[(E)-(4-methoxyphenyl)methylideneamino]-2-methylquinazolin-4-one is COc1ccc(/C=N/n2c(C)nc3ccccc3c2=O)cc1.
What is the InChIKey of 3-[(E)-(4-methoxyphenyl)methylideneamino]-2-methylquinazolin-4-one?
The InChIKey is RGBOVXWSXCIOLZ-WOJGMQOQSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-12-19-16-6-4-3-5-15(16)17(21)20(12)18-11-13-7-9-14(22-2)10-8-13/h3-11H,1-2H3/b18-11+.
What are the key properties of 3-[(E)-(4-methoxyphenyl)methylideneamino]-2-methylquinazolin-4-one?
3-[(E)-(4-methoxyphenyl)methylideneamino]-2-methylquinazolin-4-one has a molecular weight of 293.33 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-(4-methoxyphenyl)methylideneamino]-2-methylquinazolin-4-one is sourced from PubChem (CID 6869244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).