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

C17H15N3O — CID 6906270

IUPAC2-methyl-3-[(E)-(3-methylphenyl)methylideneamino]quinazolin-4-one
SMILESCc1cccc(/C=N/n2c(C)nc3ccccc3c2=O)c1
InChIInChI=1S/C17H15N3O/c1-12-6-5-7-14(10-12)11-18-20-13(2)19-16-9-4-3-8-15(16)17(20)21/h3-11H,1-2H3/b18-11+
InChIKeyUWEUXMNJSWLYRY-WOJGMQOQSA-N
MW277.33 g/mol
LogP2.90
Rot. Bonds2

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

2-methyl-3-[(E)-(3-methylphenyl)methylideneamino]quinazolin-4-one (PubChem CID 6906270) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is 2-methyl-3-[(E)-(3-methylphenyl)methylideneamino]quinazolin-4-one.

Molecular Properties

Compound Name2-methyl-3-[(E)-(3-methylphenyl)methylideneamino]quinazolin-4-one
PubChem CID6906270
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC Name2-methyl-3-[(E)-(3-methylphenyl)methylideneamino]quinazolin-4-one
SMILESCc1cccc(/C=N/n2c(C)nc3ccccc3c2=O)c1
InChIInChI=1S/C17H15N3O/c1-12-6-5-7-14(10-12)11-18-20-13(2)19-16-9-4-3-8-15(16)17(20)21/h3-11H,1-2H3/b18-11+
InChIKeyUWEUXMNJSWLYRY-WOJGMQOQSA-N
XLogP2.90
TPSA47.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-methyl-3-[(E)-(3-methylphenyl)methylideneamino]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-[(3-methoxyphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 2593639
3-[(4-hydroxyphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 765405
2-methyl-3-(pyridin-3-ylmethylideneamino)quinazolin-4-one
CID 882703
3-[(E)-(4-bromophenyl)methylideneamino]-2-methylquinazolin-4-one
CID 6863150
3-[(Z)-(2-hydroxy-4-methylphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 136721220
3-[(3,5-dimethoxyphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 2643412
2-(3-methoxyphenyl)-3-[(3-methoxyphenyl)methylideneamino]quinazolin-4-one
CID 1049564
3-[(E)-(2-bromophenyl)methylideneamino]-2-methylquinazolin-4-one
CID 6908041
3-[(2-hydroxy-3-methylphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 936423
3-[(E)-[4-(4-chlorophenoxy)phenyl]methylideneamino]-2-methylquinazolin-4-one
CID 52915607
3-[[3-ethoxy-4-(2-methylpropoxy)phenyl]methylideneamino]-2-methylquinazolin-4-one
CID 23350628
3-[[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]-2-methylquinazolin-4-one
CID 3298098

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(E)-(3-methylphenyl)methylideneamino]quinazolin-4-one?
The IUPAC name of 2-methyl-3-[(E)-(3-methylphenyl)methylideneamino]quinazolin-4-one (CID 6906270) is 2-methyl-3-[(E)-(3-methylphenyl)methylideneamino]quinazolin-4-one.
What is the SMILES notation for 2-methyl-3-[(E)-(3-methylphenyl)methylideneamino]quinazolin-4-one?
The canonical SMILES for 2-methyl-3-[(E)-(3-methylphenyl)methylideneamino]quinazolin-4-one is Cc1cccc(/C=N/n2c(C)nc3ccccc3c2=O)c1.
What is the InChIKey of 2-methyl-3-[(E)-(3-methylphenyl)methylideneamino]quinazolin-4-one?
The InChIKey is UWEUXMNJSWLYRY-WOJGMQOQSA-N. The full InChI is InChI=1S/C17H15N3O/c1-12-6-5-7-14(10-12)11-18-20-13(2)19-16-9-4-3-8-15(16)17(20)21/h3-11H,1-2H3/b18-11+.
What are the key properties of 2-methyl-3-[(E)-(3-methylphenyl)methylideneamino]quinazolin-4-one?
2-methyl-3-[(E)-(3-methylphenyl)methylideneamino]quinazolin-4-one has a molecular weight of 277.33 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(E)-(3-methylphenyl)methylideneamino]quinazolin-4-one is sourced from PubChem (CID 6906270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).