1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-[3-(methylamino)piperidin-1-yl]ethanone;hydrochloride

C18H28ClN3O2 — CID 119919154

IUPAC1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-[3-(methylamino)piperidin-1-yl]ethanone;hydrochloride
SMILESCNC1CCCN(CC(=O)N2CCCc3cc(OC)ccc32)C1.Cl
InChIInChI=1S/C18H27N3O2.ClH/c1-19-15-6-4-9-20(12-15)13-18(22)21-10-3-5-14-11-16(23-2)7-8-17(14)21;/h7-8,11,15,19H,3-6,9-10,12-13H2,1-2H3;1H
InChIKeyBBRYPTNVZDSXBI-UHFFFAOYSA-N
MW353.89 g/mol
LogP2.08
Rot. Bonds4

About 1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-[3-(methylamino)piperidin-1-yl]ethanone;hydrochloride

1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-[3-(methylamino)piperidin-1-yl]ethanone;hydrochloride (PubChem CID 119919154) has the molecular formula C18H28ClN3O2 and a molecular weight of 353.89 g/mol. Its IUPAC name is 1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-[3-(methylamino)piperidin-1-yl]ethanone;hydrochloride.

Molecular Properties

Compound Name1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-[3-(methylamino)piperidin-1-yl]ethanone;hydrochloride
PubChem CID119919154
Molecular FormulaC18H28ClN3O2
Molecular Weight353.89 g/mol
Exact Mass353.19
IUPAC Name1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-[3-(methylamino)piperidin-1-yl]ethanone;hydrochloride
SMILESCNC1CCCN(CC(=O)N2CCCc3cc(OC)ccc32)C1.Cl
InChIInChI=1S/C18H27N3O2.ClH/c1-19-15-6-4-9-20(12-15)13-18(22)21-10-3-5-14-11-16(23-2)7-8-17(14)21;/h7-8,11,15,19H,3-6,9-10,12-13H2,1-2H3;1H
InChIKeyBBRYPTNVZDSXBI-UHFFFAOYSA-N
XLogP2.08
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.89
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-[3-(methylamino)piperidin-1-yl]ethanone;hydrochloride with MolForge

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Related Compounds

methyl 1-[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperidine-4-carboxylate
CID 86913398
N-[1-[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperidin-4-yl]cyclopropanecarboxamide
CID 37473319
N-cyclopentyl-6-methoxy-3,4-dihydro-2H-quinoline-1-carboxamide
CID 38198162
1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-(3-pyrazol-1-ylazetidin-1-yl)ethanone
CID 56781235
2-[(3R)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 52501728
methyl 1-[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylate
CID 55853548
N-(2,5-dimethoxyphenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119919183
1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone
CID 78958524
2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)ethanone;hydrochloride
CID 119310079
5-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-5-oxopentanoic acid
CID 43580051
1-(5-methoxy-2,3-dihydroindol-1-yl)-2-morpholin-4-ylethanone
CID 141303253
N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-2-[3-(methylamino)piperidin-1-yl]acetamide
CID 119920048

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-[3-(methylamino)piperidin-1-yl]ethanone;hydrochloride?
The IUPAC name of 1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-[3-(methylamino)piperidin-1-yl]ethanone;hydrochloride (CID 119919154) is 1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-[3-(methylamino)piperidin-1-yl]ethanone;hydrochloride.
What is the SMILES notation for 1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-[3-(methylamino)piperidin-1-yl]ethanone;hydrochloride?
The canonical SMILES for 1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-[3-(methylamino)piperidin-1-yl]ethanone;hydrochloride is CNC1CCCN(CC(=O)N2CCCc3cc(OC)ccc32)C1.Cl.
What is the InChIKey of 1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-[3-(methylamino)piperidin-1-yl]ethanone;hydrochloride?
The InChIKey is BBRYPTNVZDSXBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2.ClH/c1-19-15-6-4-9-20(12-15)13-18(22)21-10-3-5-14-11-16(23-2)7-8-17(14)21;/h7-8,11,15,19H,3-6,9-10,12-13H2,1-2H3;1H.
What are the key properties of 1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-[3-(methylamino)piperidin-1-yl]ethanone;hydrochloride?
1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-[3-(methylamino)piperidin-1-yl]ethanone;hydrochloride has a molecular weight of 353.89 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-[3-(methylamino)piperidin-1-yl]ethanone;hydrochloride is sourced from PubChem (CID 119919154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).