6-bromo-5-phenoxy-4H-1,4-benzoxazin-3-one

C14H10BrNO3 — CID 118093821

IUPAC6-bromo-5-phenoxy-4H-1,4-benzoxazin-3-one
SMILESO=C1COc2ccc(Br)c(Oc3ccccc3)c2N1
InChIInChI=1S/C14H10BrNO3/c15-10-6-7-11-13(16-12(17)8-18-11)14(10)19-9-4-2-1-3-5-9/h1-7H,8H2,(H,16,17)
InChIKeyGJFGOWQHTQZQTB-UHFFFAOYSA-N
MW320.14 g/mol
LogP3.57
Rot. Bonds2

About 6-bromo-5-phenoxy-4H-1,4-benzoxazin-3-one

6-bromo-5-phenoxy-4H-1,4-benzoxazin-3-one (PubChem CID 118093821) has the molecular formula C14H10BrNO3 and a molecular weight of 320.14 g/mol. Its IUPAC name is 6-bromo-5-phenoxy-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-bromo-5-phenoxy-4H-1,4-benzoxazin-3-one
PubChem CID118093821
Molecular FormulaC14H10BrNO3
Molecular Weight320.14 g/mol
Exact Mass318.98
IUPAC Name6-bromo-5-phenoxy-4H-1,4-benzoxazin-3-one
SMILESO=C1COc2ccc(Br)c(Oc3ccccc3)c2N1
InChIInChI=1S/C14H10BrNO3/c15-10-6-7-11-13(16-12(17)8-18-11)14(10)19-9-4-2-1-3-5-9/h1-7H,8H2,(H,16,17)
InChIKeyGJFGOWQHTQZQTB-UHFFFAOYSA-N
XLogP3.57
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.14
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-bromo-5-phenoxy-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

Related Compounds

5-fluoro-4H-1,4-benzoxazin-3-one
CID 54758768
7-bromo-8-methoxy-4H-1,4-benzoxazin-3-one
CID 170334761
6-(bromomethyl)-5-fluoro-4H-1,4-benzoxazin-3-one
CID 167249450
3-oxo-N-(3-phenoxyphenyl)-4H-1,4-benzoxazine-6-sulfonamide
CID 51335151
5-[[2-(2-bromo-4-chlorophenoxy)phenyl]methylamino]-4H-1,4-benzoxazin-3-one
CID 167929077
methyl 3-oxo-4H-1,4-benzoxazine-5-carboxylate
CID 59153381
5-bromo-N-(3-oxo-4H-1,4-benzoxazin-5-yl)furan-2-carboxamide
CID 110742113
3-(3-oxo-4H-1,4-benzoxazin-6-yl)-N-(4-phenoxyphenyl)propanamide
CID 110390331
2-[(3-oxo-4H-1,4-benzoxazin-5-yl)oxymethyl]prop-2-enoic acid
CID 166364767
4H-1,4-benzoxazin-3-one;naphthalene
CID 165122765
3H-2-benzofuran-1-one;phenoxybenzene
CID 19981145
5-(5-amino-1H-pyrazol-4-yl)-4H-1,4-benzoxazin-3-one
CID 117332229

Frequently Asked Questions

What is the IUPAC name of 6-bromo-5-phenoxy-4H-1,4-benzoxazin-3-one?
The IUPAC name of 6-bromo-5-phenoxy-4H-1,4-benzoxazin-3-one (CID 118093821) is 6-bromo-5-phenoxy-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-bromo-5-phenoxy-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 6-bromo-5-phenoxy-4H-1,4-benzoxazin-3-one is O=C1COc2ccc(Br)c(Oc3ccccc3)c2N1.
What is the InChIKey of 6-bromo-5-phenoxy-4H-1,4-benzoxazin-3-one?
The InChIKey is GJFGOWQHTQZQTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrNO3/c15-10-6-7-11-13(16-12(17)8-18-11)14(10)19-9-4-2-1-3-5-9/h1-7H,8H2,(H,16,17).
What are the key properties of 6-bromo-5-phenoxy-4H-1,4-benzoxazin-3-one?
6-bromo-5-phenoxy-4H-1,4-benzoxazin-3-one has a molecular weight of 320.14 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-5-phenoxy-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 118093821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).