4-(2-aminoethyl)-6-methyl-1,4-benzoxazin-3-one

C11H14N2O2 — CID 82142296

IUPAC4-(2-aminoethyl)-6-methyl-1,4-benzoxazin-3-one
SMILESCc1ccc2c(c1)N(CCN)C(=O)CO2
InChIInChI=1S/C11H14N2O2/c1-8-2-3-10-9(6-8)13(5-4-12)11(14)7-15-10/h2-3,6H,4-5,7,12H2,1H3
InChIKeyDMONSHPWIVEWRI-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.68
Rot. Bonds2

About 4-(2-aminoethyl)-6-methyl-1,4-benzoxazin-3-one

4-(2-aminoethyl)-6-methyl-1,4-benzoxazin-3-one (PubChem CID 82142296) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is 4-(2-aminoethyl)-6-methyl-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name4-(2-aminoethyl)-6-methyl-1,4-benzoxazin-3-one
PubChem CID82142296
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Name4-(2-aminoethyl)-6-methyl-1,4-benzoxazin-3-one
SMILESCc1ccc2c(c1)N(CCN)C(=O)CO2
InChIInChI=1S/C11H14N2O2/c1-8-2-3-10-9(6-8)13(5-4-12)11(14)7-15-10/h2-3,6H,4-5,7,12H2,1H3
InChIKeyDMONSHPWIVEWRI-UHFFFAOYSA-N
XLogP0.68
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(2-aminoethyl)-6-methyl-1,4-benzoxazin-3-one 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

4-hexyl-6-methyl-1,4-benzoxazin-3-one
CID 143253505
N-(2-aminoethyl)-3-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 39163215
4,6-bis(2-aminoethyl)-1,4-benzoxazin-3-one
CID 115195443
4-(3-aminopropyl)-7-methyl-1,4-benzoxazin-3-one
CID 82142367
4-(2-aminoethyl)-6-[2-(methylamino)ethyl]-1,4-benzoxazin-3-one
CID 115195526
4-(1-aminopropan-2-yl)-6-methyl-1,4-benzoxazin-3-one
CID 82143007
methyl 2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetate
CID 3154550
N-[2-(dimethylamino)ethyl]-3-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 46246200
6-amino-4-[(2,5-dimethylphenyl)methyl]-1,4-benzoxazin-3-one
CID 61482029
6-bromo-4-propyl-1,4-benzoxazin-3-one
CID 70699818
4-[4-(3,5-dimethylpiperidin-1-yl)-4-oxobutyl]-6-methyl-1,4-benzoxazin-3-one
CID 20887570
6-(2-aminoethyl)-4-(3-oxobutyl)-1,4-benzoxazin-3-one
CID 115235943

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-6-methyl-1,4-benzoxazin-3-one?
The IUPAC name of 4-(2-aminoethyl)-6-methyl-1,4-benzoxazin-3-one (CID 82142296) is 4-(2-aminoethyl)-6-methyl-1,4-benzoxazin-3-one.
What is the SMILES notation for 4-(2-aminoethyl)-6-methyl-1,4-benzoxazin-3-one?
The canonical SMILES for 4-(2-aminoethyl)-6-methyl-1,4-benzoxazin-3-one is Cc1ccc2c(c1)N(CCN)C(=O)CO2.
What is the InChIKey of 4-(2-aminoethyl)-6-methyl-1,4-benzoxazin-3-one?
The InChIKey is DMONSHPWIVEWRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-8-2-3-10-9(6-8)13(5-4-12)11(14)7-15-10/h2-3,6H,4-5,7,12H2,1H3.
What are the key properties of 4-(2-aminoethyl)-6-methyl-1,4-benzoxazin-3-one?
4-(2-aminoethyl)-6-methyl-1,4-benzoxazin-3-one has a molecular weight of 206.25 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-6-methyl-1,4-benzoxazin-3-one is sourced from PubChem (CID 82142296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).