6-bromo-4,7,8-trimethyl-1,4-benzoxazin-3-one

C11H12BrNO2 — CID 82233498

IUPAC6-bromo-4,7,8-trimethyl-1,4-benzoxazin-3-one
SMILESCc1c(Br)cc2c(c1C)OCC(=O)N2C
InChIInChI=1S/C11H12BrNO2/c1-6-7(2)11-9(4-8(6)12)13(3)10(14)5-15-11/h4H,5H2,1-3H3
InChIKeyZHCKPPFVXDNEJS-UHFFFAOYSA-N
MW270.13 g/mol
LogP2.42
Rot. Bonds

About 6-bromo-4,7,8-trimethyl-1,4-benzoxazin-3-one

6-bromo-4,7,8-trimethyl-1,4-benzoxazin-3-one (PubChem CID 82233498) has the molecular formula C11H12BrNO2 and a molecular weight of 270.13 g/mol. Its IUPAC name is 6-bromo-4,7,8-trimethyl-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-bromo-4,7,8-trimethyl-1,4-benzoxazin-3-one
PubChem CID82233498
Molecular FormulaC11H12BrNO2
Molecular Weight270.13 g/mol
Exact Mass269.01
IUPAC Name6-bromo-4,7,8-trimethyl-1,4-benzoxazin-3-one
SMILESCc1c(Br)cc2c(c1C)OCC(=O)N2C
InChIInChI=1S/C11H12BrNO2/c1-6-7(2)11-9(4-8(6)12)13(3)10(14)5-15-11/h4H,5H2,1-3H3
InChIKeyZHCKPPFVXDNEJS-UHFFFAOYSA-N
XLogP2.42
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.13
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-bromo-4,7,8-trimethyl-1,4-benzoxazin-3-one with MolForge

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Related Compounds

7-bromo-3,5,8,9-tetramethyl-2,3-dihydro-1,5-benzoxazepin-4-one
CID 82234055
8-bromo-4-methyl-6-(2-methylpropyl)-1,4-benzoxazin-3-one
CID 82234031
8-(2-aminoethyl)-6-bromo-4-methyl-1,4-benzoxazin-3-one
CID 82275405
9-bromo-5,7-dimethyl-2,3-dihydro-1,5-benzoxazepin-4-one
CID 82233529
8-amino-6-chloro-4-methyl-1,4-benzoxazin-3-one
CID 75355772
7-amino-5,8,9-trimethyl-2,3-dihydro-1,5-benzoxazepin-4-one
CID 82230995
8-fluoro-4-methyl-1,4-benzoxazin-3-one
CID 66697398
(6-chloro-4-methyl-3-oxo-1,4-benzoxazin-8-yl) acetate
CID 174694741
8-fluoro-4-methyl-6-piperazin-1-yl-1,4-benzoxazin-3-one
CID 82233244
3-bromo-4-methoxy-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)benzamide
CID 110630325
8-bromo-5,7-dimethyl-2,3-dihydro-1,5-benzoxazepin-4-one
CID 82233528
6-(2-amino-4,5-dihydroimidazol-1-yl)-7-bromo-4-methyl-1,4-benzoxazin-3-one
CID 70342033

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4,7,8-trimethyl-1,4-benzoxazin-3-one?
The IUPAC name of 6-bromo-4,7,8-trimethyl-1,4-benzoxazin-3-one (CID 82233498) is 6-bromo-4,7,8-trimethyl-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-bromo-4,7,8-trimethyl-1,4-benzoxazin-3-one?
The canonical SMILES for 6-bromo-4,7,8-trimethyl-1,4-benzoxazin-3-one is Cc1c(Br)cc2c(c1C)OCC(=O)N2C.
What is the InChIKey of 6-bromo-4,7,8-trimethyl-1,4-benzoxazin-3-one?
The InChIKey is ZHCKPPFVXDNEJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO2/c1-6-7(2)11-9(4-8(6)12)13(3)10(14)5-15-11/h4H,5H2,1-3H3.
What are the key properties of 6-bromo-4,7,8-trimethyl-1,4-benzoxazin-3-one?
6-bromo-4,7,8-trimethyl-1,4-benzoxazin-3-one has a molecular weight of 270.13 g/mol, XLogP of 2.42, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4,7,8-trimethyl-1,4-benzoxazin-3-one is sourced from PubChem (CID 82233498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).