6-bromo-3-[(2-chlorophenyl)methyl]quinazolin-4-one

C15H10BrClN2O — CID 829638

IUPAC6-bromo-3-[(2-chlorophenyl)methyl]quinazolin-4-one
SMILESO=c1c2cc(Br)ccc2ncn1Cc1ccccc1Cl
InChIInChI=1S/C15H10BrClN2O/c16-11-5-6-14-12(7-11)15(20)19(9-18-14)8-10-3-1-2-4-13(10)17/h1-7,9H,8H2
InChIKeyVGSDNIQAOQFDMN-UHFFFAOYSA-N
MW349.62 g/mol
LogP3.86
Rot. Bonds2

About 6-bromo-3-[(2-chlorophenyl)methyl]quinazolin-4-one

6-bromo-3-[(2-chlorophenyl)methyl]quinazolin-4-one (PubChem CID 829638) has the molecular formula C15H10BrClN2O and a molecular weight of 349.62 g/mol. Its IUPAC name is 6-bromo-3-[(2-chlorophenyl)methyl]quinazolin-4-one.

Molecular Properties

Compound Name6-bromo-3-[(2-chlorophenyl)methyl]quinazolin-4-one
PubChem CID829638
Molecular FormulaC15H10BrClN2O
Molecular Weight349.62 g/mol
Exact Mass347.97
IUPAC Name6-bromo-3-[(2-chlorophenyl)methyl]quinazolin-4-one
SMILESO=c1c2cc(Br)ccc2ncn1Cc1ccccc1Cl
InChIInChI=1S/C15H10BrClN2O/c16-11-5-6-14-12(7-11)15(20)19(9-18-14)8-10-3-1-2-4-13(10)17/h1-7,9H,8H2
InChIKeyVGSDNIQAOQFDMN-UHFFFAOYSA-N
XLogP3.86
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.62
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-[(2-chlorophenyl)methyl]quinazolin-4-one?
The IUPAC name of 6-bromo-3-[(2-chlorophenyl)methyl]quinazolin-4-one (CID 829638) is 6-bromo-3-[(2-chlorophenyl)methyl]quinazolin-4-one.
What is the SMILES notation for 6-bromo-3-[(2-chlorophenyl)methyl]quinazolin-4-one?
The canonical SMILES for 6-bromo-3-[(2-chlorophenyl)methyl]quinazolin-4-one is O=c1c2cc(Br)ccc2ncn1Cc1ccccc1Cl.
What is the InChIKey of 6-bromo-3-[(2-chlorophenyl)methyl]quinazolin-4-one?
The InChIKey is VGSDNIQAOQFDMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrClN2O/c16-11-5-6-14-12(7-11)15(20)19(9-18-14)8-10-3-1-2-4-13(10)17/h1-7,9H,8H2.
What are the key properties of 6-bromo-3-[(2-chlorophenyl)methyl]quinazolin-4-one?
6-bromo-3-[(2-chlorophenyl)methyl]quinazolin-4-one has a molecular weight of 349.62 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-[(2-chlorophenyl)methyl]quinazolin-4-one is sourced from PubChem (CID 829638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).