3-morpholin-4-yl-2H-1,4-benzoxazin-7-amine

C12H15N3O2 — CID 12793557

IUPAC3-morpholin-4-yl-2H-1,4-benzoxazin-7-amine
SMILESNc1ccc2c(c1)OCC(N1CCOCC1)=N2
InChIInChI=1S/C12H15N3O2/c13-9-1-2-10-11(7-9)17-8-12(14-10)15-3-5-16-6-4-15/h1-2,7H,3-6,8,13H2
InChIKeyZYQGKVHETJOQFN-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.02
Rot. Bonds

About 3-morpholin-4-yl-2H-1,4-benzoxazin-7-amine

3-morpholin-4-yl-2H-1,4-benzoxazin-7-amine (PubChem CID 12793557) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 3-morpholin-4-yl-2H-1,4-benzoxazin-7-amine.

Molecular Properties

Compound Name3-morpholin-4-yl-2H-1,4-benzoxazin-7-amine
PubChem CID12793557
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name3-morpholin-4-yl-2H-1,4-benzoxazin-7-amine
SMILESNc1ccc2c(c1)OCC(N1CCOCC1)=N2
InChIInChI=1S/C12H15N3O2/c13-9-1-2-10-11(7-9)17-8-12(14-10)15-3-5-16-6-4-15/h1-2,7H,3-6,8,13H2
InChIKeyZYQGKVHETJOQFN-UHFFFAOYSA-N
XLogP1.02
TPSA60.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-yl-2H-1,4-benzoxazin-7-amine?
The IUPAC name of 3-morpholin-4-yl-2H-1,4-benzoxazin-7-amine (CID 12793557) is 3-morpholin-4-yl-2H-1,4-benzoxazin-7-amine.
What is the SMILES notation for 3-morpholin-4-yl-2H-1,4-benzoxazin-7-amine?
The canonical SMILES for 3-morpholin-4-yl-2H-1,4-benzoxazin-7-amine is Nc1ccc2c(c1)OCC(N1CCOCC1)=N2.
What is the InChIKey of 3-morpholin-4-yl-2H-1,4-benzoxazin-7-amine?
The InChIKey is ZYQGKVHETJOQFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c13-9-1-2-10-11(7-9)17-8-12(14-10)15-3-5-16-6-4-15/h1-2,7H,3-6,8,13H2.
What are the key properties of 3-morpholin-4-yl-2H-1,4-benzoxazin-7-amine?
3-morpholin-4-yl-2H-1,4-benzoxazin-7-amine has a molecular weight of 233.27 g/mol, XLogP of 1.02, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-yl-2H-1,4-benzoxazin-7-amine is sourced from PubChem (CID 12793557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).