6-bromo-2,7-dimethyl-4H-1,4-benzoxazin-3-one

C10H10BrNO2 — CID 71755652

IUPAC6-bromo-2,7-dimethyl-4H-1,4-benzoxazin-3-one
SMILESCc1cc2c(cc1Br)NC(=O)C(C)O2
InChIInChI=1S/C10H10BrNO2/c1-5-3-9-8(4-7(5)11)12-10(13)6(2)14-9/h3-4,6H,1-2H3,(H,12,13)
InChIKeyAHCXBRLGNAUEBO-UHFFFAOYSA-N
MW256.10 g/mol
LogP2.48
Rot. Bonds

About 6-bromo-2,7-dimethyl-4H-1,4-benzoxazin-3-one

6-bromo-2,7-dimethyl-4H-1,4-benzoxazin-3-one (PubChem CID 71755652) has the molecular formula C10H10BrNO2 and a molecular weight of 256.10 g/mol. Its IUPAC name is 6-bromo-2,7-dimethyl-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-bromo-2,7-dimethyl-4H-1,4-benzoxazin-3-one
PubChem CID71755652
Molecular FormulaC10H10BrNO2
Molecular Weight256.10 g/mol
Exact Mass254.99
IUPAC Name6-bromo-2,7-dimethyl-4H-1,4-benzoxazin-3-one
SMILESCc1cc2c(cc1Br)NC(=O)C(C)O2
InChIInChI=1S/C10H10BrNO2/c1-5-3-9-8(4-7(5)11)12-10(13)6(2)14-9/h3-4,6H,1-2H3,(H,12,13)
InChIKeyAHCXBRLGNAUEBO-UHFFFAOYSA-N
XLogP2.48
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.10
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-bromo-2,7-dimethyl-4H-1,4-benzoxazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2,7-dimethyl-4H-1,4-benzoxazin-3-one?
The IUPAC name of 6-bromo-2,7-dimethyl-4H-1,4-benzoxazin-3-one (CID 71755652) is 6-bromo-2,7-dimethyl-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-bromo-2,7-dimethyl-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 6-bromo-2,7-dimethyl-4H-1,4-benzoxazin-3-one is Cc1cc2c(cc1Br)NC(=O)C(C)O2.
What is the InChIKey of 6-bromo-2,7-dimethyl-4H-1,4-benzoxazin-3-one?
The InChIKey is AHCXBRLGNAUEBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNO2/c1-5-3-9-8(4-7(5)11)12-10(13)6(2)14-9/h3-4,6H,1-2H3,(H,12,13).
What are the key properties of 6-bromo-2,7-dimethyl-4H-1,4-benzoxazin-3-one?
6-bromo-2,7-dimethyl-4H-1,4-benzoxazin-3-one has a molecular weight of 256.10 g/mol, XLogP of 2.48, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2,7-dimethyl-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 71755652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).