2-(3-chlorophenyl)-1-[4-(dimethylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone

C19H21ClN2O — CID 110709401

IUPAC2-(3-chlorophenyl)-1-[4-(dimethylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone
SMILESCN(C)C1CCN(C(=O)Cc2cccc(Cl)c2)c2ccccc21
InChIInChI=1S/C19H21ClN2O/c1-21(2)17-10-11-22(18-9-4-3-8-16(17)18)19(23)13-14-6-5-7-15(20)12-14/h3-9,12,17H,10-11,13H2,1-2H3
InChIKeyKSGABROLTLLRAJ-UHFFFAOYSA-N
MW328.84 g/mol
LogP3.92
Rot. Bonds3

About 2-(3-chlorophenyl)-1-[4-(dimethylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone

2-(3-chlorophenyl)-1-[4-(dimethylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone (PubChem CID 110709401) has the molecular formula C19H21ClN2O and a molecular weight of 328.84 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1-[4-(dimethylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3-chlorophenyl)-1-[4-(dimethylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone
PubChem CID110709401
Molecular FormulaC19H21ClN2O
Molecular Weight328.84 g/mol
Exact Mass328.13
IUPAC Name2-(3-chlorophenyl)-1-[4-(dimethylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone
SMILESCN(C)C1CCN(C(=O)Cc2cccc(Cl)c2)c2ccccc21
InChIInChI=1S/C19H21ClN2O/c1-21(2)17-10-11-22(18-9-4-3-8-16(17)18)19(23)13-14-6-5-7-15(20)12-14/h3-9,12,17H,10-11,13H2,1-2H3
InChIKeyKSGABROLTLLRAJ-UHFFFAOYSA-N
XLogP3.92
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.84
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1,3-benzodioxol-5-yl)-1-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 71938374
1-(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2-(3-methoxyphenyl)ethanone
CID 110709443
1-[4-(dimethylamino)-3,4-dihydro-2H-quinolin-1-yl]-2-(2-fluorophenoxy)ethanone
CID 110709406
[4-(dimethylamino)-3,4-dihydro-2H-quinolin-1-yl]-pyridin-2-ylmethanone
CID 110741370
2-(3-chlorophenyl)-1-[4-(1-hydroxyethyl)piperidin-1-yl]ethanone
CID 112537658
2-(3-chlorophenyl)-1-(2,3-dihydropyrido[4,3-b][1,4]oxazin-4-yl)ethanone
CID 166227093
1-[2-(3-chlorophenyl)acetyl]piperidine-4-carboxamide
CID 95211420
1-(3-aminopyrrolidin-1-yl)-2-(3-chlorophenyl)ethanone
CID 62504630
N-(azetidin-3-yl)-2-(3-chlorophenyl)-N-methylacetamide
CID 66185680
2-(3-chlorophenyl)-1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 79030258
2-(3-chlorophenyl)-1-[(3S)-3-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]ethanone
CID 97061949
2-(3-chlorophenyl)-1-[4-(ethylaminomethyl)piperidin-1-yl]ethanone
CID 80552385

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-1-[4-(dimethylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The IUPAC name of 2-(3-chlorophenyl)-1-[4-(dimethylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone (CID 110709401) is 2-(3-chlorophenyl)-1-[4-(dimethylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone.
What is the SMILES notation for 2-(3-chlorophenyl)-1-[4-(dimethylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The canonical SMILES for 2-(3-chlorophenyl)-1-[4-(dimethylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone is CN(C)C1CCN(C(=O)Cc2cccc(Cl)c2)c2ccccc21.
What is the InChIKey of 2-(3-chlorophenyl)-1-[4-(dimethylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The InChIKey is KSGABROLTLLRAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O/c1-21(2)17-10-11-22(18-9-4-3-8-16(17)18)19(23)13-14-6-5-7-15(20)12-14/h3-9,12,17H,10-11,13H2,1-2H3.
What are the key properties of 2-(3-chlorophenyl)-1-[4-(dimethylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone?
2-(3-chlorophenyl)-1-[4-(dimethylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone has a molecular weight of 328.84 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-1-[4-(dimethylamino)-3,4-dihydro-2H-quinolin-1-yl]ethanone is sourced from PubChem (CID 110709401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).