7-amino-4-[2-(diethylamino)ethyl]-2-methyl-1,4-benzoxazin-3-one

C15H23N3O2 — CID 62987546

IUPAC7-amino-4-[2-(diethylamino)ethyl]-2-methyl-1,4-benzoxazin-3-one
SMILESCCN(CC)CCN1C(=O)C(C)Oc2cc(N)ccc21
InChIInChI=1S/C15H23N3O2/c1-4-17(5-2)8-9-18-13-7-6-12(16)10-14(13)20-11(3)15(18)19/h6-7,10-11H,4-5,8-9,16H2,1-3H3
InChIKeyATKOBHYNGZDTHE-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.72
Rot. Bonds5

About 7-amino-4-[2-(diethylamino)ethyl]-2-methyl-1,4-benzoxazin-3-one

7-amino-4-[2-(diethylamino)ethyl]-2-methyl-1,4-benzoxazin-3-one (PubChem CID 62987546) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 7-amino-4-[2-(diethylamino)ethyl]-2-methyl-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name7-amino-4-[2-(diethylamino)ethyl]-2-methyl-1,4-benzoxazin-3-one
PubChem CID62987546
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name7-amino-4-[2-(diethylamino)ethyl]-2-methyl-1,4-benzoxazin-3-one
SMILESCCN(CC)CCN1C(=O)C(C)Oc2cc(N)ccc21
InChIInChI=1S/C15H23N3O2/c1-4-17(5-2)8-9-18-13-7-6-12(16)10-14(13)20-11(3)15(18)19/h6-7,10-11H,4-5,8-9,16H2,1-3H3
InChIKeyATKOBHYNGZDTHE-UHFFFAOYSA-N
XLogP1.72
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-amino-4-(3-ethylsulfonylpropyl)-2-methyl-1,4-benzoxazin-3-one
CID 65093329
7-amino-4-(3-hydroxy-3-methylbutyl)-2-methyl-1,4-benzoxazin-3-one
CID 79354843
7-amino-2-methyl-4-(4-methylpentyl)-1,4-benzoxazin-3-one
CID 83155673
2-(7-amino-2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-cyclopropyl-N-methylacetamide
CID 62988767
6-amino-4-(4-aminobutyl)-2-methyl-1,4-benzoxazin-3-one
CID 115201020
2-(7-amino-2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(cyanomethyl)acetamide
CID 62989118
6-amino-2-methyl-4-[3-(methylamino)propyl]-1,4-benzoxazin-3-one
CID 115197702
7-amino-2-benzyl-4-[2-(dimethylamino)ethyl]-1,4-benzoxazin-3-one
CID 82229388
3-amino-1-[2-(diethylamino)ethyl]-5-methyl-3H-indol-2-one
CID 43254795
4-heptyl-7-hydroxy-2-methyl-1,4-benzoxazin-3-one
CID 82063646
3-(7-iodo-2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanoic acid
CID 79787669
7-amino-4-[2-(diethylamino)ethyl]-1,4-benzothiazin-3-one
CID 84615606

Frequently Asked Questions

What is the IUPAC name of 7-amino-4-[2-(diethylamino)ethyl]-2-methyl-1,4-benzoxazin-3-one?
The IUPAC name of 7-amino-4-[2-(diethylamino)ethyl]-2-methyl-1,4-benzoxazin-3-one (CID 62987546) is 7-amino-4-[2-(diethylamino)ethyl]-2-methyl-1,4-benzoxazin-3-one.
What is the SMILES notation for 7-amino-4-[2-(diethylamino)ethyl]-2-methyl-1,4-benzoxazin-3-one?
The canonical SMILES for 7-amino-4-[2-(diethylamino)ethyl]-2-methyl-1,4-benzoxazin-3-one is CCN(CC)CCN1C(=O)C(C)Oc2cc(N)ccc21.
What is the InChIKey of 7-amino-4-[2-(diethylamino)ethyl]-2-methyl-1,4-benzoxazin-3-one?
The InChIKey is ATKOBHYNGZDTHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-4-17(5-2)8-9-18-13-7-6-12(16)10-14(13)20-11(3)15(18)19/h6-7,10-11H,4-5,8-9,16H2,1-3H3.
What are the key properties of 7-amino-4-[2-(diethylamino)ethyl]-2-methyl-1,4-benzoxazin-3-one?
7-amino-4-[2-(diethylamino)ethyl]-2-methyl-1,4-benzoxazin-3-one has a molecular weight of 277.37 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-4-[2-(diethylamino)ethyl]-2-methyl-1,4-benzoxazin-3-one is sourced from PubChem (CID 62987546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).