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'}

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

CID 6602859
CID 6602859
Dimethyl-(7-morpholin-4-ylphenoxazin-3-ylidene)azanium chloride
CID 24881340
7-morpholin-4-ium-4-ylidene-N,N-dipropylphenoxazin-3-amine chloride
CID 24881477
N,N-diethyl-7-morpholin-4-ium-4-ylidenephenoxazin-3-amine chloride
CID 24882275
Phenoxazin-5-ium, 3-amino-7-(dimethylamino)-2-methoxy-, chloride (1:1)
CID 105805
Phenoxazin-5-ium, 3,7-diamino-2-methoxy-, chloride (1:1)
CID 105699
3-(2-(Piperidin-1-yl)ethoxy)aniline
CID 21941707
N3,N3,2-trimethylphenoxazin-5-ium-3,7-diamine
CID 73522
3-[1-(4,5-dihydro-1H-imidazol-2-yl)ethoxy]aniline
CID 44371792
7-Amino-3-(diethylamino)-2-methylphenoxazin-5-ium chloride
CID 122299
(2,5-diethoxy-4-morpholino-phenyl)-(3,4,5,6-tetrahydro-2H-azepin-7-yl)amine;hydrochloride
CID 2100795
(7-Amino-8-methoxyphenoxazin-3-ylidene)-dimethylazanium
CID 105806

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).