1-(2-methyl-3,4-dihydro-2H-quinoxalin-1-yl)ethanone;hydrochloride

C11H15ClN2O — CID 154574825

IUPAC1-(2-methyl-3,4-dihydro-2H-quinoxalin-1-yl)ethanone;hydrochloride
SMILESCC(=O)N1c2ccccc2NCC1C.Cl
InChIInChI=1S/C11H14N2O.ClH/c1-8-7-12-10-5-3-4-6-11(10)13(8)9(2)14;/h3-6,8,12H,7H2,1-2H3;1H
InChIKeyDEXXYIHCUHZQHU-UHFFFAOYSA-N
MW226.71 g/mol
LogP2.28
Rot. Bonds

About 1-(2-methyl-3,4-dihydro-2H-quinoxalin-1-yl)ethanone;hydrochloride

1-(2-methyl-3,4-dihydro-2H-quinoxalin-1-yl)ethanone;hydrochloride (PubChem CID 154574825) has the molecular formula C11H15ClN2O and a molecular weight of 226.71 g/mol. Its IUPAC name is 1-(2-methyl-3,4-dihydro-2H-quinoxalin-1-yl)ethanone;hydrochloride.

Molecular Properties

Compound Name1-(2-methyl-3,4-dihydro-2H-quinoxalin-1-yl)ethanone;hydrochloride
PubChem CID154574825
Molecular FormulaC11H15ClN2O
Molecular Weight226.71 g/mol
Exact Mass226.09
IUPAC Name1-(2-methyl-3,4-dihydro-2H-quinoxalin-1-yl)ethanone;hydrochloride
SMILESCC(=O)N1c2ccccc2NCC1C.Cl
InChIInChI=1S/C11H14N2O.ClH/c1-8-7-12-10-5-3-4-6-11(10)13(8)9(2)14;/h3-6,8,12H,7H2,1-2H3;1H
InChIKeyDEXXYIHCUHZQHU-UHFFFAOYSA-N
XLogP2.28
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2-methyl-3,4-dihydro-2H-quinoxalin-1-yl)ethanone;hydrochloride 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

1-(7-chloro-2-methyl-3,4-dihydro-2H-quinoxalin-1-yl)ethanone
CID 82391759
benzene;benzyl 2-methyl-3,4-dihydro-2H-quinoxaline-1-carboxylate
CID 23057926
2-(2-methyl-3,4-dihydro-2H-quinoxalin-1-yl)acetamide
CID 115318363
2-ethyl-3,4-dihydro-2H-quinoxaline-1-carboxylic acid
CID 142774277
1-(6-bromo-2-methyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-1-yl)ethanone
CID 118079168
1-(5-acetyl-4-methyl-3,4-dihydro-2H-1,5-benzodiazepin-1-yl)ethanone
CID 23241545
2-benzyl-3,4-dihydro-2H-quinoxaline-1-carboxylic acid
CID 175563669
2-(fluoromethoxy)-3,4-dihydro-2H-quinoxaline-1-carboxylic acid
CID 174810540
4-benzyl-3-methyl-2,3-dihydro-1H-quinoxaline
CID 75481796
2-pyrrolidin-3-yl-3,4-dihydro-2H-quinoxaline-1-carboxamide
CID 170439364
3-[(2-methyl-3,4-dihydro-2H-quinoxalin-1-yl)methyl]pentan-3-ol
CID 114496646
5-(1-acetyl-2-methyl-3,4-dihydro-2H-quinoxalin-6-yl)-N,N-diethyl-2-methoxybenzenesulfonamide
CID 123852801

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-3,4-dihydro-2H-quinoxalin-1-yl)ethanone;hydrochloride?
The IUPAC name of 1-(2-methyl-3,4-dihydro-2H-quinoxalin-1-yl)ethanone;hydrochloride (CID 154574825) is 1-(2-methyl-3,4-dihydro-2H-quinoxalin-1-yl)ethanone;hydrochloride.
What is the SMILES notation for 1-(2-methyl-3,4-dihydro-2H-quinoxalin-1-yl)ethanone;hydrochloride?
The canonical SMILES for 1-(2-methyl-3,4-dihydro-2H-quinoxalin-1-yl)ethanone;hydrochloride is CC(=O)N1c2ccccc2NCC1C.Cl.
What is the InChIKey of 1-(2-methyl-3,4-dihydro-2H-quinoxalin-1-yl)ethanone;hydrochloride?
The InChIKey is DEXXYIHCUHZQHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O.ClH/c1-8-7-12-10-5-3-4-6-11(10)13(8)9(2)14;/h3-6,8,12H,7H2,1-2H3;1H.
What are the key properties of 1-(2-methyl-3,4-dihydro-2H-quinoxalin-1-yl)ethanone;hydrochloride?
1-(2-methyl-3,4-dihydro-2H-quinoxalin-1-yl)ethanone;hydrochloride has a molecular weight of 226.71 g/mol, XLogP of 2.28, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-3,4-dihydro-2H-quinoxalin-1-yl)ethanone;hydrochloride is sourced from PubChem (CID 154574825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).