6-bromo-5-methoxy-4-methyl-1,4-benzoxazin-3-one

C10H10BrNO3 — CID 170334927

IUPAC6-bromo-5-methoxy-4-methyl-1,4-benzoxazin-3-one
SMILESCOc1c(Br)ccc2c1N(C)C(=O)CO2
InChIInChI=1S/C10H10BrNO3/c1-12-8(13)5-15-7-4-3-6(11)10(14-2)9(7)12/h3-4H,5H2,1-2H3
InChIKeyAXHKMDQBBDBDEJ-UHFFFAOYSA-N
MW272.10 g/mol
LogP1.81
Rot. Bonds1

About 6-bromo-5-methoxy-4-methyl-1,4-benzoxazin-3-one

6-bromo-5-methoxy-4-methyl-1,4-benzoxazin-3-one (PubChem CID 170334927) has the molecular formula C10H10BrNO3 and a molecular weight of 272.10 g/mol. Its IUPAC name is 6-bromo-5-methoxy-4-methyl-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-bromo-5-methoxy-4-methyl-1,4-benzoxazin-3-one
PubChem CID170334927
Molecular FormulaC10H10BrNO3
Molecular Weight272.10 g/mol
Exact Mass270.98
IUPAC Name6-bromo-5-methoxy-4-methyl-1,4-benzoxazin-3-one
SMILESCOc1c(Br)ccc2c1N(C)C(=O)CO2
InChIInChI=1S/C10H10BrNO3/c1-12-8(13)5-15-7-4-3-6(11)10(14-2)9(7)12/h3-4H,5H2,1-2H3
InChIKeyAXHKMDQBBDBDEJ-UHFFFAOYSA-N
XLogP1.81
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.10
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-(4-methoxyphenyl)-4-methyl-1,4-benzoxazin-3-one
CID 117001096
6-hydroperoxy-4-methyl-1,4-benzoxazin-3-one
CID 118920596
1,4-dibromo-2,3-dimethoxybenzene
CID 15784959
methyl 2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)butanoate
CID 116964415
7-bromo-8-methoxy-4H-1,4-benzoxazin-3-one
CID 170334761
methyl 2-amino-2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)acetate
CID 116856936
6-iodo-4-methyl-1,4-benzoxazin-3-one
CID 15171871
ethane;4-methyl-1,4-benzoxazin-3-one
CID 91027337
6-(2-hydroxypropan-2-yl)-4-methyl-1,4-benzoxazin-3-one
CID 117315574
1-(4,6-dimethoxypyrimidin-2-yl)-3-[(4-methyl-3-oxo-1,4-benzoxazin-5-yl)sulfonyl]urea
CID 70368414
7-chloro-4-(3,4,5-trimethoxyphenyl)-5H-1,4-benzoxazepin-3-one
CID 53152485
N,N-diethyl-3-oxo-4-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]-1,4-benzoxazine-6-carboxamide
CID 53023754

Frequently Asked Questions

What is the IUPAC name of 6-bromo-5-methoxy-4-methyl-1,4-benzoxazin-3-one?
The IUPAC name of 6-bromo-5-methoxy-4-methyl-1,4-benzoxazin-3-one (CID 170334927) is 6-bromo-5-methoxy-4-methyl-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-bromo-5-methoxy-4-methyl-1,4-benzoxazin-3-one?
The canonical SMILES for 6-bromo-5-methoxy-4-methyl-1,4-benzoxazin-3-one is COc1c(Br)ccc2c1N(C)C(=O)CO2.
What is the InChIKey of 6-bromo-5-methoxy-4-methyl-1,4-benzoxazin-3-one?
The InChIKey is AXHKMDQBBDBDEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNO3/c1-12-8(13)5-15-7-4-3-6(11)10(14-2)9(7)12/h3-4H,5H2,1-2H3.
What are the key properties of 6-bromo-5-methoxy-4-methyl-1,4-benzoxazin-3-one?
6-bromo-5-methoxy-4-methyl-1,4-benzoxazin-3-one has a molecular weight of 272.10 g/mol, XLogP of 1.81, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-5-methoxy-4-methyl-1,4-benzoxazin-3-one is sourced from PubChem (CID 170334927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).