7-(benzylideneamino)-2-methyl-3-(2-methylphenyl)quinazolin-4-one

C23H19N3O — CID 57399195

IUPAC7-(benzylideneamino)-2-methyl-3-(2-methylphenyl)quinazolin-4-one
SMILESCc1ccccc1-n1c(C)nc2cc(/N=C/c3ccccc3)ccc2c1=O
InChIInChI=1S/C23H19N3O/c1-16-8-6-7-11-22(16)26-17(2)25-21-14-19(12-13-20(21)23(26)27)24-15-18-9-4-3-5-10-18/h3-15H,1-2H3/b24-15+
InChIKeyHOPWYVAYPIIHNF-BUVRLJJBSA-N
MW353.43 g/mol
LogP4.75
Rot. Bonds3

About 7-(benzylideneamino)-2-methyl-3-(2-methylphenyl)quinazolin-4-one

7-(benzylideneamino)-2-methyl-3-(2-methylphenyl)quinazolin-4-one (PubChem CID 57399195) has the molecular formula C23H19N3O and a molecular weight of 353.43 g/mol. Its IUPAC name is 7-(benzylideneamino)-2-methyl-3-(2-methylphenyl)quinazolin-4-one.

Molecular Properties

Compound Name7-(benzylideneamino)-2-methyl-3-(2-methylphenyl)quinazolin-4-one
PubChem CID57399195
Molecular FormulaC23H19N3O
Molecular Weight353.43 g/mol
Exact Mass353.15
IUPAC Name7-(benzylideneamino)-2-methyl-3-(2-methylphenyl)quinazolin-4-one
SMILESCc1ccccc1-n1c(C)nc2cc(/N=C/c3ccccc3)ccc2c1=O
InChIInChI=1S/C23H19N3O/c1-16-8-6-7-11-22(16)26-17(2)25-21-14-19(12-13-20(21)23(26)27)24-15-18-9-4-3-5-10-18/h3-15H,1-2H3/b24-15+
InChIKeyHOPWYVAYPIIHNF-BUVRLJJBSA-N
XLogP4.75
TPSA47.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-(benzylideneamino)-2-methyl-3-(2-methylphenyl)quinazolin-4-one?
The IUPAC name of 7-(benzylideneamino)-2-methyl-3-(2-methylphenyl)quinazolin-4-one (CID 57399195) is 7-(benzylideneamino)-2-methyl-3-(2-methylphenyl)quinazolin-4-one.
What is the SMILES notation for 7-(benzylideneamino)-2-methyl-3-(2-methylphenyl)quinazolin-4-one?
The canonical SMILES for 7-(benzylideneamino)-2-methyl-3-(2-methylphenyl)quinazolin-4-one is Cc1ccccc1-n1c(C)nc2cc(/N=C/c3ccccc3)ccc2c1=O.
What is the InChIKey of 7-(benzylideneamino)-2-methyl-3-(2-methylphenyl)quinazolin-4-one?
The InChIKey is HOPWYVAYPIIHNF-BUVRLJJBSA-N. The full InChI is InChI=1S/C23H19N3O/c1-16-8-6-7-11-22(16)26-17(2)25-21-14-19(12-13-20(21)23(26)27)24-15-18-9-4-3-5-10-18/h3-15H,1-2H3/b24-15+.
What are the key properties of 7-(benzylideneamino)-2-methyl-3-(2-methylphenyl)quinazolin-4-one?
7-(benzylideneamino)-2-methyl-3-(2-methylphenyl)quinazolin-4-one has a molecular weight of 353.43 g/mol, XLogP of 4.75, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(benzylideneamino)-2-methyl-3-(2-methylphenyl)quinazolin-4-one is sourced from PubChem (CID 57399195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).