6-bromo-4-(2-chlorophenyl)-1-methylquinazolin-2-one

C15H10BrClN2O — CID 4713933

IUPAC6-bromo-4-(2-chlorophenyl)-1-methylquinazolin-2-one
SMILESCn1c(=O)nc(-c2ccccc2Cl)c2cc(Br)ccc21
InChIInChI=1S/C15H10BrClN2O/c1-19-13-7-6-9(16)8-11(13)14(18-15(19)20)10-4-2-3-5-12(10)17/h2-8H,1H3
InChIKeyYAXMTTCSBOQXSL-UHFFFAOYSA-N
MW349.62 g/mol
LogP4.02
Rot. Bonds1

About 6-bromo-4-(2-chlorophenyl)-1-methylquinazolin-2-one

6-bromo-4-(2-chlorophenyl)-1-methylquinazolin-2-one (PubChem CID 4713933) has the molecular formula C15H10BrClN2O and a molecular weight of 349.62 g/mol. Its IUPAC name is 6-bromo-4-(2-chlorophenyl)-1-methylquinazolin-2-one.

Molecular Properties

Compound Name6-bromo-4-(2-chlorophenyl)-1-methylquinazolin-2-one
PubChem CID4713933
Molecular FormulaC15H10BrClN2O
Molecular Weight349.62 g/mol
Exact Mass347.97
IUPAC Name6-bromo-4-(2-chlorophenyl)-1-methylquinazolin-2-one
SMILESCn1c(=O)nc(-c2ccccc2Cl)c2cc(Br)ccc21
InChIInChI=1S/C15H10BrClN2O/c1-19-13-7-6-9(16)8-11(13)14(18-15(19)20)10-4-2-3-5-12(10)17/h2-8H,1H3
InChIKeyYAXMTTCSBOQXSL-UHFFFAOYSA-N
XLogP4.02
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.62
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-(2-chlorophenyl)-1-methylquinazolin-2-one?
The IUPAC name of 6-bromo-4-(2-chlorophenyl)-1-methylquinazolin-2-one (CID 4713933) is 6-bromo-4-(2-chlorophenyl)-1-methylquinazolin-2-one.
What is the SMILES notation for 6-bromo-4-(2-chlorophenyl)-1-methylquinazolin-2-one?
The canonical SMILES for 6-bromo-4-(2-chlorophenyl)-1-methylquinazolin-2-one is Cn1c(=O)nc(-c2ccccc2Cl)c2cc(Br)ccc21.
What is the InChIKey of 6-bromo-4-(2-chlorophenyl)-1-methylquinazolin-2-one?
The InChIKey is YAXMTTCSBOQXSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrClN2O/c1-19-13-7-6-9(16)8-11(13)14(18-15(19)20)10-4-2-3-5-12(10)17/h2-8H,1H3.
What are the key properties of 6-bromo-4-(2-chlorophenyl)-1-methylquinazolin-2-one?
6-bromo-4-(2-chlorophenyl)-1-methylquinazolin-2-one has a molecular weight of 349.62 g/mol, XLogP of 4.02, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-(2-chlorophenyl)-1-methylquinazolin-2-one is sourced from PubChem (CID 4713933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).