5-amino-2-methyl-4-(2-morpholin-4-ylethyl)-1,4-benzoxazin-3-one

C15H21N3O3 — CID 82345993

IUPAC5-amino-2-methyl-4-(2-morpholin-4-ylethyl)-1,4-benzoxazin-3-one
SMILESCC1Oc2cccc(N)c2N(CCN2CCOCC2)C1=O
InChIInChI=1S/C15H21N3O3/c1-11-15(19)18(6-5-17-7-9-20-10-8-17)14-12(16)3-2-4-13(14)21-11/h2-4,11H,5-10,16H2,1H3
InChIKeyLQINFQZFJZOYAC-UHFFFAOYSA-N
MW291.35 g/mol
LogP0.71
Rot. Bonds3

About 5-amino-2-methyl-4-(2-morpholin-4-ylethyl)-1,4-benzoxazin-3-one

5-amino-2-methyl-4-(2-morpholin-4-ylethyl)-1,4-benzoxazin-3-one (PubChem CID 82345993) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 5-amino-2-methyl-4-(2-morpholin-4-ylethyl)-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name5-amino-2-methyl-4-(2-morpholin-4-ylethyl)-1,4-benzoxazin-3-one
PubChem CID82345993
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name5-amino-2-methyl-4-(2-morpholin-4-ylethyl)-1,4-benzoxazin-3-one
SMILESCC1Oc2cccc(N)c2N(CCN2CCOCC2)C1=O
InChIInChI=1S/C15H21N3O3/c1-11-15(19)18(6-5-17-7-9-20-10-8-17)14-12(16)3-2-4-13(14)21-11/h2-4,11H,5-10,16H2,1H3
InChIKeyLQINFQZFJZOYAC-UHFFFAOYSA-N
XLogP0.71
TPSA68.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(5-amino-2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetohydrazide
CID 82345925
propan-2-yl 2-(5-amino-2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetate
CID 82345940
2-(5-amino-2-methyl-3-oxo-1,4-benzoxazin-4-yl)-2-methylpropanoic acid
CID 82345996
5-amino-4-[2-(dimethylamino)ethyl]-2-propan-2-yl-1,4-benzoxazin-3-one
CID 82346249
2-(2-morpholin-4-ylethyl)benzene-1,3-diamine
CID 140755433
(3R)-3,5,7-trimethyl-1-(2-morpholin-4-ylethyl)-3H-azepin-2-one
CID 92856701
5-amino-4-ethyl-2-phenyl-1,4-benzoxazin-3-one
CID 82346261
2,4,5-trimethyl-1,4-benzoxazin-3-one
CID 83753043
propan-2-yl 2-(5-amino-2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanoate
CID 82345948
(1R,2S,6S,7S)-4-(2-morpholin-4-ylethyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 6559550
(3aR,4S,7S,7aR)-2-(2-morpholin-4-ylethyl)-3a,4,7,7a-tetrahydro-4,7-epoxyisoindole-1,3-dione
CID 98542176
5-amino-4-methyl-2-propan-2-yl-1,4-benzoxazin-3-one
CID 82346236

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methyl-4-(2-morpholin-4-ylethyl)-1,4-benzoxazin-3-one?
The IUPAC name of 5-amino-2-methyl-4-(2-morpholin-4-ylethyl)-1,4-benzoxazin-3-one (CID 82345993) is 5-amino-2-methyl-4-(2-morpholin-4-ylethyl)-1,4-benzoxazin-3-one.
What is the SMILES notation for 5-amino-2-methyl-4-(2-morpholin-4-ylethyl)-1,4-benzoxazin-3-one?
The canonical SMILES for 5-amino-2-methyl-4-(2-morpholin-4-ylethyl)-1,4-benzoxazin-3-one is CC1Oc2cccc(N)c2N(CCN2CCOCC2)C1=O.
What is the InChIKey of 5-amino-2-methyl-4-(2-morpholin-4-ylethyl)-1,4-benzoxazin-3-one?
The InChIKey is LQINFQZFJZOYAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-11-15(19)18(6-5-17-7-9-20-10-8-17)14-12(16)3-2-4-13(14)21-11/h2-4,11H,5-10,16H2,1H3.
What are the key properties of 5-amino-2-methyl-4-(2-morpholin-4-ylethyl)-1,4-benzoxazin-3-one?
5-amino-2-methyl-4-(2-morpholin-4-ylethyl)-1,4-benzoxazin-3-one has a molecular weight of 291.35 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methyl-4-(2-morpholin-4-ylethyl)-1,4-benzoxazin-3-one is sourced from PubChem (CID 82345993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).