6-bromo-4-propyl-1,4-benzoxazin-3-one

C11H12BrNO2 — CID 70699818

IUPAC6-bromo-4-propyl-1,4-benzoxazin-3-one
SMILESCCCN1C(=O)COc2ccc(Br)cc21
InChIInChI=1S/C11H12BrNO2/c1-2-5-13-9-6-8(12)3-4-10(9)15-7-11(13)14/h3-4,6H,2,5,7H2,1H3
InChIKeyHLIKGVGAPMAWBY-UHFFFAOYSA-N
MW270.13 g/mol
LogP2.58
Rot. Bonds2

About 6-bromo-4-propyl-1,4-benzoxazin-3-one

6-bromo-4-propyl-1,4-benzoxazin-3-one (PubChem CID 70699818) has the molecular formula C11H12BrNO2 and a molecular weight of 270.13 g/mol. Its IUPAC name is 6-bromo-4-propyl-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-bromo-4-propyl-1,4-benzoxazin-3-one
PubChem CID70699818
Molecular FormulaC11H12BrNO2
Molecular Weight270.13 g/mol
Exact Mass269.01
IUPAC Name6-bromo-4-propyl-1,4-benzoxazin-3-one
SMILESCCCN1C(=O)COc2ccc(Br)cc21
InChIInChI=1S/C11H12BrNO2/c1-2-5-13-9-6-8(12)3-4-10(9)15-7-11(13)14/h3-4,6H,2,5,7H2,1H3
InChIKeyHLIKGVGAPMAWBY-UHFFFAOYSA-N
XLogP2.58
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.13
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-bromo-4-propyl-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

Related Compounds

6-bromo-4-(3-methoxypropyl)-1,4-benzoxazin-3-one
CID 23148519
4-(6-bromo-3-oxo-1,4-benzoxazin-4-yl)butanenitrile
CID 43153008
6-[5-(4-bromophenyl)-1,2,4-oxadiazol-3-yl]-4-propyl-1,4-benzoxazin-3-one
CID 53127147
3-oxo-4-propyl-1,4-benzoxazine-6-sulfonyl chloride
CID 82025528
2-(6-bromo-3-oxo-1,4-benzoxazin-4-yl)acetaldehyde
CID 62024846
6-bromo-4-(2,2-diethoxyethyl)-1,4-benzoxazin-3-one
CID 63628396
8-bromo-1-propyl-5H-4,1-benzoxazepin-2-one
CID 71447398
methanol;4-propyl-1,4-benzoxazin-3-one
CID 91005222
5-(6-bromo-3-oxo-1,4-benzoxazin-4-yl)-2,2-dimethylpentanenitrile
CID 65257426
4-benzyl-6-bromo-1,4-benzoxazin-3-one
CID 68733662
6-(dimethylsulfamoylamino)-3-oxo-4-propyl-1,4-benzoxazine
CID 110504184
6-(1-amino-2,2,2-trifluoroethyl)-4-propyl-1,4-benzoxazin-3-one
CID 82028356

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-propyl-1,4-benzoxazin-3-one?
The IUPAC name of 6-bromo-4-propyl-1,4-benzoxazin-3-one (CID 70699818) is 6-bromo-4-propyl-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-bromo-4-propyl-1,4-benzoxazin-3-one?
The canonical SMILES for 6-bromo-4-propyl-1,4-benzoxazin-3-one is CCCN1C(=O)COc2ccc(Br)cc21.
What is the InChIKey of 6-bromo-4-propyl-1,4-benzoxazin-3-one?
The InChIKey is HLIKGVGAPMAWBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO2/c1-2-5-13-9-6-8(12)3-4-10(9)15-7-11(13)14/h3-4,6H,2,5,7H2,1H3.
What are the key properties of 6-bromo-4-propyl-1,4-benzoxazin-3-one?
6-bromo-4-propyl-1,4-benzoxazin-3-one has a molecular weight of 270.13 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-propyl-1,4-benzoxazin-3-one is sourced from PubChem (CID 70699818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).