2-(5-bromofuran-2-yl)-6,7-dimethoxy-3,1-benzoxazin-4-one

C14H10BrNO5 — CID 1026525

IUPAC2-(5-bromofuran-2-yl)-6,7-dimethoxy-3,1-benzoxazin-4-one
SMILESCOc1cc2nc(-c3ccc(Br)o3)oc(=O)c2cc1OC
InChIInChI=1S/C14H10BrNO5/c1-18-10-5-7-8(6-11(10)19-2)16-13(21-14(7)17)9-3-4-12(15)20-9/h3-6H,1-2H3
InChIKeyKVMVIANIQSGHHS-UHFFFAOYSA-N
MW352.14 g/mol
LogP3.23
Rot. Bonds3

About 2-(5-bromofuran-2-yl)-6,7-dimethoxy-3,1-benzoxazin-4-one

2-(5-bromofuran-2-yl)-6,7-dimethoxy-3,1-benzoxazin-4-one (PubChem CID 1026525) has the molecular formula C14H10BrNO5 and a molecular weight of 352.14 g/mol. Its IUPAC name is 2-(5-bromofuran-2-yl)-6,7-dimethoxy-3,1-benzoxazin-4-one.

Molecular Properties

Compound Name2-(5-bromofuran-2-yl)-6,7-dimethoxy-3,1-benzoxazin-4-one
PubChem CID1026525
Molecular FormulaC14H10BrNO5
Molecular Weight352.14 g/mol
Exact Mass350.97
IUPAC Name2-(5-bromofuran-2-yl)-6,7-dimethoxy-3,1-benzoxazin-4-one
SMILESCOc1cc2nc(-c3ccc(Br)o3)oc(=O)c2cc1OC
InChIInChI=1S/C14H10BrNO5/c1-18-10-5-7-8(6-11(10)19-2)16-13(21-14(7)17)9-3-4-12(15)20-9/h3-6H,1-2H3
InChIKeyKVMVIANIQSGHHS-UHFFFAOYSA-N
XLogP3.23
TPSA74.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.14
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(5-bromofuran-2-yl)-6,7-dimethoxy-3,1-benzoxazin-4-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 2-(5-bromofuran-2-yl)-6,7-dimethoxy-3,1-benzoxazin-4-one?
The IUPAC name of 2-(5-bromofuran-2-yl)-6,7-dimethoxy-3,1-benzoxazin-4-one (CID 1026525) is 2-(5-bromofuran-2-yl)-6,7-dimethoxy-3,1-benzoxazin-4-one.
What is the SMILES notation for 2-(5-bromofuran-2-yl)-6,7-dimethoxy-3,1-benzoxazin-4-one?
The canonical SMILES for 2-(5-bromofuran-2-yl)-6,7-dimethoxy-3,1-benzoxazin-4-one is COc1cc2nc(-c3ccc(Br)o3)oc(=O)c2cc1OC.
What is the InChIKey of 2-(5-bromofuran-2-yl)-6,7-dimethoxy-3,1-benzoxazin-4-one?
The InChIKey is KVMVIANIQSGHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrNO5/c1-18-10-5-7-8(6-11(10)19-2)16-13(21-14(7)17)9-3-4-12(15)20-9/h3-6H,1-2H3.
What are the key properties of 2-(5-bromofuran-2-yl)-6,7-dimethoxy-3,1-benzoxazin-4-one?
2-(5-bromofuran-2-yl)-6,7-dimethoxy-3,1-benzoxazin-4-one has a molecular weight of 352.14 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromofuran-2-yl)-6,7-dimethoxy-3,1-benzoxazin-4-one is sourced from PubChem (CID 1026525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).