3-amino-2H-1,4-benzoxazin-7-ol

C8H8N2O2 — CID 115012899

IUPAC3-amino-2H-1,4-benzoxazin-7-ol
SMILESNC1=Nc2ccc(O)cc2OC1
InChIInChI=1S/C8H8N2O2/c9-8-4-12-7-3-5(11)1-2-6(7)10-8/h1-3,11H,4H2,(H2,9,10)
InChIKeyBOVSKHHSVVSRKT-UHFFFAOYSA-N
MW164.16 g/mol
LogP0.77
Rot. Bonds

About 3-amino-2H-1,4-benzoxazin-7-ol

3-amino-2H-1,4-benzoxazin-7-ol (PubChem CID 115012899) has the molecular formula C8H8N2O2 and a molecular weight of 164.16 g/mol. Its IUPAC name is 3-amino-2H-1,4-benzoxazin-7-ol.

Molecular Properties

Compound Name3-amino-2H-1,4-benzoxazin-7-ol
PubChem CID115012899
Molecular FormulaC8H8N2O2
Molecular Weight164.16 g/mol
Exact Mass164.06
IUPAC Name3-amino-2H-1,4-benzoxazin-7-ol
SMILESNC1=Nc2ccc(O)cc2OC1
InChIInChI=1S/C8H8N2O2/c9-8-4-12-7-3-5(11)1-2-6(7)10-8/h1-3,11H,4H2,(H2,9,10)
InChIKeyBOVSKHHSVVSRKT-UHFFFAOYSA-N
XLogP0.77
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-amino-2H-1,4-benzoxazin-7-ol 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 3-amino-2H-1,4-benzoxazin-7-ol?
The IUPAC name of 3-amino-2H-1,4-benzoxazin-7-ol (CID 115012899) is 3-amino-2H-1,4-benzoxazin-7-ol.
What is the SMILES notation for 3-amino-2H-1,4-benzoxazin-7-ol?
The canonical SMILES for 3-amino-2H-1,4-benzoxazin-7-ol is NC1=Nc2ccc(O)cc2OC1.
What is the InChIKey of 3-amino-2H-1,4-benzoxazin-7-ol?
The InChIKey is BOVSKHHSVVSRKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O2/c9-8-4-12-7-3-5(11)1-2-6(7)10-8/h1-3,11H,4H2,(H2,9,10).
What are the key properties of 3-amino-2H-1,4-benzoxazin-7-ol?
3-amino-2H-1,4-benzoxazin-7-ol has a molecular weight of 164.16 g/mol, XLogP of 0.77, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2H-1,4-benzoxazin-7-ol is sourced from PubChem (CID 115012899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).