6-bromo-3-[(4-chlorophenyl)methylideneamino]-2-methylquinazolin-4-one

C16H11BrClN3O — CID 74406616

IUPAC6-bromo-3-[(4-chlorophenyl)methylideneamino]-2-methylquinazolin-4-one
SMILESCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(Cl)cc1
InChIInChI=1S/C16H11BrClN3O/c1-10-20-15-7-4-12(17)8-14(15)16(22)21(10)19-9-11-2-5-13(18)6-3-11/h2-9H,1H3
InChIKeyZPCJPYJVXDDHOW-UHFFFAOYSA-N
MW376.64 g/mol
LogP4.00
Rot. Bonds2

About 6-bromo-3-[(4-chlorophenyl)methylideneamino]-2-methylquinazolin-4-one

6-bromo-3-[(4-chlorophenyl)methylideneamino]-2-methylquinazolin-4-one (PubChem CID 74406616) has the molecular formula C16H11BrClN3O and a molecular weight of 376.64 g/mol. Its IUPAC name is 6-bromo-3-[(4-chlorophenyl)methylideneamino]-2-methylquinazolin-4-one.

Molecular Properties

Compound Name6-bromo-3-[(4-chlorophenyl)methylideneamino]-2-methylquinazolin-4-one
PubChem CID74406616
Molecular FormulaC16H11BrClN3O
Molecular Weight376.64 g/mol
Exact Mass374.98
IUPAC Name6-bromo-3-[(4-chlorophenyl)methylideneamino]-2-methylquinazolin-4-one
SMILESCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(Cl)cc1
InChIInChI=1S/C16H11BrClN3O/c1-10-20-15-7-4-12(17)8-14(15)16(22)21(10)19-9-11-2-5-13(18)6-3-11/h2-9H,1H3
InChIKeyZPCJPYJVXDDHOW-UHFFFAOYSA-N
XLogP4.00
TPSA47.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.64
LogP ≤ 54.00
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

6-bromo-3-[(4-hydroxyphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 137125807
6-bromo-3-[(4-fluorophenyl)methylideneamino]-2-methylquinazolin-4-one
CID 126307039
6-bromo-3-[(E)-(4-hydroxyphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 135926154
6-bromo-3-[(4-chlorophenyl)methylideneamino]-2-propylquinazolin-4-one
CID 126328161
6-bromo-2-butyl-3-[(4-chlorophenyl)methylideneamino]quinazolin-4-one
CID 126329248
6-bromo-3-[(4-hydroxy-3,5-diiodophenyl)methylideneamino]-2-methylquinazolin-4-one
CID 137125747
6-bromo-3-[(3,5-dibromo-4-ethoxyphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 126288143
6-bromo-3-[(3-fluorophenyl)methylideneamino]-2-methylquinazolin-4-one
CID 126305274
3-[(E)-(4-bromophenyl)methylideneamino]-2-methylquinazolin-4-one
CID 6863150
(2S)-2-[4-[(6-bromo-2-methyl-4-oxoquinazolin-3-yl)iminomethyl]phenoxy]propanoic acid
CID 126307034
6-bromo-3-[(3-chloro-4-prop-2-enoxyphenyl)methylideneamino]-2-methylquinazolin-4-one
CID 126286165
N-(4-chlorophenyl)-2-[2,6-dibromo-4-[(6-bromo-2-methyl-4-oxoquinazolin-3-yl)iminomethyl]phenoxy]acetamide
CID 126301306

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-[(4-chlorophenyl)methylideneamino]-2-methylquinazolin-4-one?
The IUPAC name of 6-bromo-3-[(4-chlorophenyl)methylideneamino]-2-methylquinazolin-4-one (CID 74406616) is 6-bromo-3-[(4-chlorophenyl)methylideneamino]-2-methylquinazolin-4-one.
What is the SMILES notation for 6-bromo-3-[(4-chlorophenyl)methylideneamino]-2-methylquinazolin-4-one?
The canonical SMILES for 6-bromo-3-[(4-chlorophenyl)methylideneamino]-2-methylquinazolin-4-one is Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(Cl)cc1.
What is the InChIKey of 6-bromo-3-[(4-chlorophenyl)methylideneamino]-2-methylquinazolin-4-one?
The InChIKey is ZPCJPYJVXDDHOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrClN3O/c1-10-20-15-7-4-12(17)8-14(15)16(22)21(10)19-9-11-2-5-13(18)6-3-11/h2-9H,1H3.
What are the key properties of 6-bromo-3-[(4-chlorophenyl)methylideneamino]-2-methylquinazolin-4-one?
6-bromo-3-[(4-chlorophenyl)methylideneamino]-2-methylquinazolin-4-one has a molecular weight of 376.64 g/mol, XLogP of 4.00, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-[(4-chlorophenyl)methylideneamino]-2-methylquinazolin-4-one is sourced from PubChem (CID 74406616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).