4-(2-bromo-6-chlorophenyl)-1H-quinazolin-2-one

C14H8BrClN2O — CID 91179092

IUPAC4-(2-bromo-6-chlorophenyl)-1H-quinazolin-2-one
SMILESO=c1nc(-c2c(Cl)cccc2Br)c2ccccc2[nH]1
InChIInChI=1S/C14H8BrClN2O/c15-9-5-3-6-10(16)12(9)13-8-4-1-2-7-11(8)17-14(19)18-13/h1-7H,(H,17,18,19)
InChIKeyNPBVBQPOVFGISZ-UHFFFAOYSA-N
MW335.59 g/mol
LogP4.01
Rot. Bonds1

About 4-(2-bromo-6-chlorophenyl)-1H-quinazolin-2-one

4-(2-bromo-6-chlorophenyl)-1H-quinazolin-2-one (PubChem CID 91179092) has the molecular formula C14H8BrClN2O and a molecular weight of 335.59 g/mol. Its IUPAC name is 4-(2-bromo-6-chlorophenyl)-1H-quinazolin-2-one.

Molecular Properties

Compound Name4-(2-bromo-6-chlorophenyl)-1H-quinazolin-2-one
PubChem CID91179092
Molecular FormulaC14H8BrClN2O
Molecular Weight335.59 g/mol
Exact Mass333.95
IUPAC Name4-(2-bromo-6-chlorophenyl)-1H-quinazolin-2-one
SMILESO=c1nc(-c2c(Cl)cccc2Br)c2ccccc2[nH]1
InChIInChI=1S/C14H8BrClN2O/c15-9-5-3-6-10(16)12(9)13-8-4-1-2-7-11(8)17-14(19)18-13/h1-7H,(H,17,18,19)
InChIKeyNPBVBQPOVFGISZ-UHFFFAOYSA-N
XLogP4.01
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.59
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-6-chlorophenyl)-1H-quinazolin-2-one?
The IUPAC name of 4-(2-bromo-6-chlorophenyl)-1H-quinazolin-2-one (CID 91179092) is 4-(2-bromo-6-chlorophenyl)-1H-quinazolin-2-one.
What is the SMILES notation for 4-(2-bromo-6-chlorophenyl)-1H-quinazolin-2-one?
The canonical SMILES for 4-(2-bromo-6-chlorophenyl)-1H-quinazolin-2-one is O=c1nc(-c2c(Cl)cccc2Br)c2ccccc2[nH]1.
What is the InChIKey of 4-(2-bromo-6-chlorophenyl)-1H-quinazolin-2-one?
The InChIKey is NPBVBQPOVFGISZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrClN2O/c15-9-5-3-6-10(16)12(9)13-8-4-1-2-7-11(8)17-14(19)18-13/h1-7H,(H,17,18,19).
What are the key properties of 4-(2-bromo-6-chlorophenyl)-1H-quinazolin-2-one?
4-(2-bromo-6-chlorophenyl)-1H-quinazolin-2-one has a molecular weight of 335.59 g/mol, XLogP of 4.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-6-chlorophenyl)-1H-quinazolin-2-one is sourced from PubChem (CID 91179092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).