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

C14H8BrClN2O — CID 630711

IUPAC6-bromo-4-(2-chlorophenyl)-1H-quinazolin-2-one
SMILESO=c1nc(-c2ccccc2Cl)c2cc(Br)ccc2[nH]1
InChIInChI=1S/C14H8BrClN2O/c15-8-5-6-12-10(7-8)13(18-14(19)17-12)9-3-1-2-4-11(9)16/h1-7H,(H,17,18,19)
InChIKeyGJVHRACDDIDTBW-UHFFFAOYSA-N
MW335.59 g/mol
LogP4.01
Rot. Bonds1

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

6-bromo-4-(2-chlorophenyl)-1H-quinazolin-2-one (PubChem CID 630711) has the molecular formula C14H8BrClN2O and a molecular weight of 335.59 g/mol. Its IUPAC name is 6-bromo-4-(2-chlorophenyl)-1H-quinazolin-2-one.

Molecular Properties

Compound Name6-bromo-4-(2-chlorophenyl)-1H-quinazolin-2-one
PubChem CID630711
Molecular FormulaC14H8BrClN2O
Molecular Weight335.59 g/mol
Exact Mass333.95
IUPAC Name6-bromo-4-(2-chlorophenyl)-1H-quinazolin-2-one
SMILESO=c1nc(-c2ccccc2Cl)c2cc(Br)ccc2[nH]1
InChIInChI=1S/C14H8BrClN2O/c15-8-5-6-12-10(7-8)13(18-14(19)17-12)9-3-1-2-4-11(9)16/h1-7H,(H,17,18,19)
InChIKeyGJVHRACDDIDTBW-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 6-bromo-4-(2-chlorophenyl)-1H-quinazolin-2-one?
The IUPAC name of 6-bromo-4-(2-chlorophenyl)-1H-quinazolin-2-one (CID 630711) is 6-bromo-4-(2-chlorophenyl)-1H-quinazolin-2-one.
What is the SMILES notation for 6-bromo-4-(2-chlorophenyl)-1H-quinazolin-2-one?
The canonical SMILES for 6-bromo-4-(2-chlorophenyl)-1H-quinazolin-2-one is O=c1nc(-c2ccccc2Cl)c2cc(Br)ccc2[nH]1.
What is the InChIKey of 6-bromo-4-(2-chlorophenyl)-1H-quinazolin-2-one?
The InChIKey is GJVHRACDDIDTBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrClN2O/c15-8-5-6-12-10(7-8)13(18-14(19)17-12)9-3-1-2-4-11(9)16/h1-7H,(H,17,18,19).
What are the key properties of 6-bromo-4-(2-chlorophenyl)-1H-quinazolin-2-one?
6-bromo-4-(2-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 6-bromo-4-(2-chlorophenyl)-1H-quinazolin-2-one is sourced from PubChem (CID 630711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).