1-(1-azabicyclo[2.2.2]octan-2-ylmethyl)-3,4-dihydro-2H-quinoline;hydrochloride

C17H25ClN2 — CID 3085415

IUPAC1-(1-azabicyclo[2.2.2]octan-2-ylmethyl)-3,4-dihydro-2H-quinoline;hydrochloride
SMILESCl.c1ccc2c(c1)CCCN2CC1CC2CCN1CC2
InChIInChI=1S/C17H24N2.ClH/c1-2-6-17-15(4-1)5-3-9-19(17)13-16-12-14-7-10-18(16)11-8-14;/h1-2,4,6,14,16H,3,5,7-13H2;1H
InChIKeyQTYHOYIMBXMCGR-UHFFFAOYSA-N
MW292.85 g/mol
LogP3.35
Rot. Bonds2

About 1-(1-azabicyclo[2.2.2]octan-2-ylmethyl)-3,4-dihydro-2H-quinoline;hydrochloride

1-(1-azabicyclo[2.2.2]octan-2-ylmethyl)-3,4-dihydro-2H-quinoline;hydrochloride (PubChem CID 3085415) has the molecular formula C17H25ClN2 and a molecular weight of 292.85 g/mol. Its IUPAC name is 1-(1-azabicyclo[2.2.2]octan-2-ylmethyl)-3,4-dihydro-2H-quinoline;hydrochloride.

Molecular Properties

Compound Name1-(1-azabicyclo[2.2.2]octan-2-ylmethyl)-3,4-dihydro-2H-quinoline;hydrochloride
PubChem CID3085415
Molecular FormulaC17H25ClN2
Molecular Weight292.85 g/mol
Exact Mass292.17
IUPAC Name1-(1-azabicyclo[2.2.2]octan-2-ylmethyl)-3,4-dihydro-2H-quinoline;hydrochloride
SMILESCl.c1ccc2c(c1)CCCN2CC1CC2CCN1CC2
InChIInChI=1S/C17H24N2.ClH/c1-2-6-17-15(4-1)5-3-9-19(17)13-16-12-14-7-10-18(16)11-8-14;/h1-2,4,6,14,16H,3,5,7-13H2;1H
InChIKeyQTYHOYIMBXMCGR-UHFFFAOYSA-N
XLogP3.35
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.85
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(cyclopentylmethyl)-3,4-dihydro-2H-quinoline
CID 82078705
1-(2-cyclohexylethyl)-3,4-dihydro-2H-quinoline
CID 154337689
2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-4-propan-2-ylcyclohexan-1-ol
CID 63495850
2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-ethyl-4-methylcyclohexan-1-amine
CID 63484507
1-(2-pyrrolidin-1-ylethyl)-3,4-dihydro-2H-quinoline
CID 59807075
3-(3,4-dihydro-2H-quinolin-1-ylmethyl)thiomorpholine
CID 82917784
1-[2-(4-methylpiperidin-1-yl)ethyl]-3,4-dihydro-2H-quinoline
CID 54807289
ethane;1-(2-methylpropyl)-3,4-dihydro-2H-quinoline
CID 170597916
3-(3,4-dihydro-2H-quinolin-1-yl)-2-methyl-2-phenylpropan-1-amine
CID 62263045
4-(3,4-dihydro-2H-quinolin-1-yl)-3,3-dimethylbutan-2-amine
CID 66454044
2-(2,3-dihydroindol-1-ylmethyl)cyclopentan-1-ol
CID 62609345
1-(3-pyrrolidin-1-ylpropyl)-3,4-dihydro-2H-quinoline
CID 82085595

Frequently Asked Questions

What is the IUPAC name of 1-(1-azabicyclo[2.2.2]octan-2-ylmethyl)-3,4-dihydro-2H-quinoline;hydrochloride?
The IUPAC name of 1-(1-azabicyclo[2.2.2]octan-2-ylmethyl)-3,4-dihydro-2H-quinoline;hydrochloride (CID 3085415) is 1-(1-azabicyclo[2.2.2]octan-2-ylmethyl)-3,4-dihydro-2H-quinoline;hydrochloride.
What is the SMILES notation for 1-(1-azabicyclo[2.2.2]octan-2-ylmethyl)-3,4-dihydro-2H-quinoline;hydrochloride?
The canonical SMILES for 1-(1-azabicyclo[2.2.2]octan-2-ylmethyl)-3,4-dihydro-2H-quinoline;hydrochloride is Cl.c1ccc2c(c1)CCCN2CC1CC2CCN1CC2.
What is the InChIKey of 1-(1-azabicyclo[2.2.2]octan-2-ylmethyl)-3,4-dihydro-2H-quinoline;hydrochloride?
The InChIKey is QTYHOYIMBXMCGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2.ClH/c1-2-6-17-15(4-1)5-3-9-19(17)13-16-12-14-7-10-18(16)11-8-14;/h1-2,4,6,14,16H,3,5,7-13H2;1H.
What are the key properties of 1-(1-azabicyclo[2.2.2]octan-2-ylmethyl)-3,4-dihydro-2H-quinoline;hydrochloride?
1-(1-azabicyclo[2.2.2]octan-2-ylmethyl)-3,4-dihydro-2H-quinoline;hydrochloride has a molecular weight of 292.85 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-azabicyclo[2.2.2]octan-2-ylmethyl)-3,4-dihydro-2H-quinoline;hydrochloride is sourced from PubChem (CID 3085415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).