6-bromo-3-methylquinazolin-2-one

C9H7BrN2O — CID 72710582

IUPAC6-bromo-3-methylquinazolin-2-one
SMILESCn1cc2cc(Br)ccc2nc1=O
InChIInChI=1S/C9H7BrN2O/c1-12-5-6-4-7(10)2-3-8(6)11-9(12)13/h2-5H,1H3
InChIKeyGPDLSJIVSYJIMV-UHFFFAOYSA-N
MW239.07 g/mol
LogP1.70
Rot. Bonds

About 6-bromo-3-methylquinazolin-2-one

6-bromo-3-methylquinazolin-2-one (PubChem CID 72710582) has the molecular formula C9H7BrN2O and a molecular weight of 239.07 g/mol. Its IUPAC name is 6-bromo-3-methylquinazolin-2-one.

Molecular Properties

Compound Name6-bromo-3-methylquinazolin-2-one
PubChem CID72710582
Molecular FormulaC9H7BrN2O
Molecular Weight239.07 g/mol
Exact Mass237.97
IUPAC Name6-bromo-3-methylquinazolin-2-one
SMILESCn1cc2cc(Br)ccc2nc1=O
InChIInChI=1S/C9H7BrN2O/c1-12-5-6-4-7(10)2-3-8(6)11-9(12)13/h2-5H,1H3
InChIKeyGPDLSJIVSYJIMV-UHFFFAOYSA-N
XLogP1.70
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.07
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-Methylquinazolinone
CID 70515486
3-Butylquinazolinone
CID 20446037
Quinazoline-3-carboxamide
CID 67260576
3-Allylquinazolinone
CID 70631189
Quinazoline-3-aldehyde
CID 129779823
3-(2-Bromoethyl)quinazolinone
CID 132278501
2H-quinazoline-3-carbonyl fluoride
CID 87668405
6-bromo-5-fluoro-3-methyl-2H-quinazoline
CID 175890772
3-Chloroquinazolinone
CID 129870334
1,4-dimethyl-5-[(E)-prop-1-enyl]pyrimidin-2-one
CID 59952203
6-bromo-3-methyl-2H-quinazoline
CID 141185520
3-Propylquinazolin-2-one
CID 149677355

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-methylquinazolin-2-one?
The IUPAC name of 6-bromo-3-methylquinazolin-2-one (CID 72710582) is 6-bromo-3-methylquinazolin-2-one.
What is the SMILES notation for 6-bromo-3-methylquinazolin-2-one?
The canonical SMILES for 6-bromo-3-methylquinazolin-2-one is Cn1cc2cc(Br)ccc2nc1=O.
What is the InChIKey of 6-bromo-3-methylquinazolin-2-one?
The InChIKey is GPDLSJIVSYJIMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2O/c1-12-5-6-4-7(10)2-3-8(6)11-9(12)13/h2-5H,1H3.
What are the key properties of 6-bromo-3-methylquinazolin-2-one?
6-bromo-3-methylquinazolin-2-one has a molecular weight of 239.07 g/mol, XLogP of 1.70, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-methylquinazolin-2-one is sourced from PubChem (CID 72710582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).