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

C16H12BrN3O — CID 6908041

IUPAC3-[(E)-(2-bromophenyl)methylideneamino]-2-methylquinazolin-4-one
SMILESCc1nc2ccccc2c(=O)n1/N=C/c1ccccc1Br
InChIInChI=1S/C16H12BrN3O/c1-11-19-15-9-5-3-7-13(15)16(21)20(11)18-10-12-6-2-4-8-14(12)17/h2-10H,1H3/b18-10+
InChIKeyLEINRSVRYWWJGZ-VCHYOVAHSA-N
MW342.20 g/mol
LogP3.35
Rot. Bonds2

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

3-[(E)-(2-bromophenyl)methylideneamino]-2-methylquinazolin-4-one (PubChem CID 6908041) has the molecular formula C16H12BrN3O and a molecular weight of 342.20 g/mol. Its IUPAC name is 3-[(E)-(2-bromophenyl)methylideneamino]-2-methylquinazolin-4-one.

Molecular Properties

Compound Name3-[(E)-(2-bromophenyl)methylideneamino]-2-methylquinazolin-4-one
PubChem CID6908041
Molecular FormulaC16H12BrN3O
Molecular Weight342.20 g/mol
Exact Mass341.02
IUPAC Name3-[(E)-(2-bromophenyl)methylideneamino]-2-methylquinazolin-4-one
SMILESCc1nc2ccccc2c(=O)n1/N=C/c1ccccc1Br
InChIInChI=1S/C16H12BrN3O/c1-11-19-15-9-5-3-7-13(15)16(21)20(11)18-10-12-6-2-4-8-14(12)17/h2-10H,1H3/b18-10+
InChIKeyLEINRSVRYWWJGZ-VCHYOVAHSA-N
XLogP3.35
TPSA47.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.20
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(E)-(4-bromophenyl)methylideneamino]-2-methylquinazolin-4-one
CID 6863150
3-[(2-hydroxy-3-methylphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 936423
2-methyl-3-[(2-nitrophenyl)methylideneamino]quinazolin-4-one
CID 880262
3-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 6867165
3-[(Z)-(2-hydroxy-4-methylphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 136721220
3-[(4-hydroxyphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 765405
3-[(2,4-dibromo-6-hydroxyphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 3648461
2-methyl-3-[(Z)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]quinazolin-4-one
CID 136736737
2-methyl-3-[(E)-(3-methylphenyl)methylideneamino]quinazolin-4-one
CID 6906270
2-methyl-3-(pyridin-3-ylmethylideneamino)quinazolin-4-one
CID 882703
3-[(3,5-dimethoxyphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 2643412
6-bromo-3-[(E)-(4-hydroxyphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 135926154

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-(2-bromophenyl)methylideneamino]-2-methylquinazolin-4-one?
The IUPAC name of 3-[(E)-(2-bromophenyl)methylideneamino]-2-methylquinazolin-4-one (CID 6908041) is 3-[(E)-(2-bromophenyl)methylideneamino]-2-methylquinazolin-4-one.
What is the SMILES notation for 3-[(E)-(2-bromophenyl)methylideneamino]-2-methylquinazolin-4-one?
The canonical SMILES for 3-[(E)-(2-bromophenyl)methylideneamino]-2-methylquinazolin-4-one is Cc1nc2ccccc2c(=O)n1/N=C/c1ccccc1Br.
What is the InChIKey of 3-[(E)-(2-bromophenyl)methylideneamino]-2-methylquinazolin-4-one?
The InChIKey is LEINRSVRYWWJGZ-VCHYOVAHSA-N. The full InChI is InChI=1S/C16H12BrN3O/c1-11-19-15-9-5-3-7-13(15)16(21)20(11)18-10-12-6-2-4-8-14(12)17/h2-10H,1H3/b18-10+.
What are the key properties of 3-[(E)-(2-bromophenyl)methylideneamino]-2-methylquinazolin-4-one?
3-[(E)-(2-bromophenyl)methylideneamino]-2-methylquinazolin-4-one has a molecular weight of 342.20 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-(2-bromophenyl)methylideneamino]-2-methylquinazolin-4-one is sourced from PubChem (CID 6908041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).