2-(3,4-dichlorophenyl)-N-methyl-N-(1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-8-yl)acetamide;hydrochloride

C19H27Cl3N2O — CID 22161806

IUPAC2-(3,4-dichlorophenyl)-N-methyl-N-(1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-8-yl)acetamide;hydrochloride
SMILESCN1CCCC2CCCC(N(C)C(=O)Cc3ccc(Cl)c(Cl)c3)C21.Cl
InChIInChI=1S/C19H26Cl2N2O.ClH/c1-22-10-4-6-14-5-3-7-17(19(14)22)23(2)18(24)12-13-8-9-15(20)16(21)11-13;/h8-9,11,14,17,19H,3-7,10,12H2,1-2H3;1H
InChIKeyCCHNDBGDMKIVDS-UHFFFAOYSA-N
MW405.80 g/mol
LogP4.68
Rot. Bonds3

About 2-(3,4-dichlorophenyl)-N-methyl-N-(1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-8-yl)acetamide;hydrochloride

2-(3,4-dichlorophenyl)-N-methyl-N-(1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-8-yl)acetamide;hydrochloride (PubChem CID 22161806) has the molecular formula C19H27Cl3N2O and a molecular weight of 405.80 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-N-methyl-N-(1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-8-yl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-N-methyl-N-(1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-8-yl)acetamide;hydrochloride
PubChem CID22161806
Molecular FormulaC19H27Cl3N2O
Molecular Weight405.80 g/mol
Exact Mass404.12
IUPAC Name2-(3,4-dichlorophenyl)-N-methyl-N-(1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-8-yl)acetamide;hydrochloride
SMILESCN1CCCC2CCCC(N(C)C(=O)Cc3ccc(Cl)c(Cl)c3)C21.Cl
InChIInChI=1S/C19H26Cl2N2O.ClH/c1-22-10-4-6-14-5-3-7-17(19(14)22)23(2)18(24)12-13-8-9-15(20)16(21)11-13;/h8-9,11,14,17,19H,3-7,10,12H2,1-2H3;1H
InChIKeyCCHNDBGDMKIVDS-UHFFFAOYSA-N
XLogP4.68
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.80
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(3,4-dichlorophenyl)-N-methyl-N-(1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-8-yl)acetamide;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

2-(3,4-dichlorophenyl)-N-methyl-N-(2-pyrrolidin-1-ylcyclohexyl)acetamide;hydrochloride
CID 19872097
2-(3,4-dichlorophenyl)-N-[(1S,2S)-2-(2,5-dihydropyrrol-1-yl)cyclohexyl]-N-methylacetamide;hydrochloride
CID 54611533
2-(3,4-dichlorophenyl)-N-[(1S,2R)-2-(dimethylamino)cyclohexyl]-N-methylacetamide
CID 169447588
2-(3,4-dichlorophenyl)-N-methyl-N-[(1S,2R)-3-oxo-2-pyrrolidin-1-ylcyclohexyl]acetamide
CID 22827143
2-(3,4-dichlorophenyl)-N-methyl-N-[(1S,2S)-2-pyrrolidin-1-ium-1-ylcyclohexyl]acetamide
CID 15940203
2-(3,4-dichlorophenyl)-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)acetamide
CID 134046949
2-(3,4-dichlorophenyl)-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methylacetamide
CID 63046152
2-(3,4-dichlorophenyl)-N-(4,5-dimethoxy-2-pyrrolidin-1-ylcyclohexyl)-N-methylacetamide
CID 14673811
2-(3,4-dichlorophenyl)-N-(4,4-dimethoxy-2-pyrrolidin-1-ylcyclohexyl)-N-methylacetamide
CID 13375664
2-(3,4-dichlorophenyl)-N-(5-hydroxyimino-2-pyrrolidin-1-ylcyclohexyl)-N-methylacetamide
CID 73472313
2-(3,4-dichlorophenyl)-N-[9-(2,5-dihydropyrrol-1-yl)-1,4-dioxaspiro[4.6]undecan-8-yl]-N-methylacetamide
CID 23315593
N-[5,5-bis(ethylsulfanyl)-2-pyrrolidin-1-ylcyclohexyl]-2-(3,4-dichlorophenyl)-N-methylacetamide
CID 22120699

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-N-methyl-N-(1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-8-yl)acetamide;hydrochloride?
The IUPAC name of 2-(3,4-dichlorophenyl)-N-methyl-N-(1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-8-yl)acetamide;hydrochloride (CID 22161806) is 2-(3,4-dichlorophenyl)-N-methyl-N-(1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-8-yl)acetamide;hydrochloride.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-N-methyl-N-(1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-8-yl)acetamide;hydrochloride?
The canonical SMILES for 2-(3,4-dichlorophenyl)-N-methyl-N-(1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-8-yl)acetamide;hydrochloride is CN1CCCC2CCCC(N(C)C(=O)Cc3ccc(Cl)c(Cl)c3)C21.Cl.
What is the InChIKey of 2-(3,4-dichlorophenyl)-N-methyl-N-(1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-8-yl)acetamide;hydrochloride?
The InChIKey is CCHNDBGDMKIVDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26Cl2N2O.ClH/c1-22-10-4-6-14-5-3-7-17(19(14)22)23(2)18(24)12-13-8-9-15(20)16(21)11-13;/h8-9,11,14,17,19H,3-7,10,12H2,1-2H3;1H.
What are the key properties of 2-(3,4-dichlorophenyl)-N-methyl-N-(1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-8-yl)acetamide;hydrochloride?
2-(3,4-dichlorophenyl)-N-methyl-N-(1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-8-yl)acetamide;hydrochloride has a molecular weight of 405.80 g/mol, XLogP of 4.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-N-methyl-N-(1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-8-yl)acetamide;hydrochloride is sourced from PubChem (CID 22161806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).