1-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline

C20H24N2 — CID 112507559

IUPAC1-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline
SMILESc1ccc2c(c1)CCNC2CCN1CCCc2ccccc21
InChIInChI=1S/C20H24N2/c1-3-9-18-16(6-1)11-13-21-19(18)12-15-22-14-5-8-17-7-2-4-10-20(17)22/h1-4,6-7,9-10,19,21H,5,8,11-15H2
InChIKeyRXTABMVQUAJYGS-UHFFFAOYSA-N
MW292.43 g/mol
LogP3.72
Rot. Bonds3

About 1-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline

1-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline (PubChem CID 112507559) has the molecular formula C20H24N2 and a molecular weight of 292.43 g/mol. Its IUPAC name is 1-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name1-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline
PubChem CID112507559
Molecular FormulaC20H24N2
Molecular Weight292.43 g/mol
Exact Mass292.19
IUPAC Name1-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline
SMILESc1ccc2c(c1)CCNC2CCN1CCCc2ccccc21
InChIInChI=1S/C20H24N2/c1-3-9-18-16(6-1)11-13-21-19(18)12-15-22-14-5-8-17-7-2-4-10-20(17)22/h1-4,6-7,9-10,19,21H,5,8,11-15H2
InChIKeyRXTABMVQUAJYGS-UHFFFAOYSA-N
XLogP3.72
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)ethanone
CID 112509738
4-[2-(1,2,3,4-tetrahydroisoquinolin-1-yl)ethyl]morpholine
CID 82048427
1-(2-cyclohexylethyl)-3,4-dihydro-2H-quinoline
CID 154337689
1-[10-(1,2,3,4-tetrahydroisoquinolin-1-yl)decyl]-1,2,3,4-tetrahydroisoquinoline
CID 20976200
1-[2-[(3S)-piperidin-3-yl]ethyl]-3,4-dihydro-2H-quinoline
CID 86323488
1-[2-(1,3-dioxan-2-yl)ethyl]-3,4-dihydro-2H-quinoline
CID 66472298
1-(2-phenylethyl)-1,2,3,4-tetrahydroisoquinoline
CID 12743117
1-(2-pyrrolidin-1-ylethyl)-3,4-dihydro-2H-quinoline
CID 59807075
1-(2,3-dihydroindol-1-yl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)ethanone
CID 112509706
N-methyl-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)ethanamine
CID 115104867
1,2,3,4-tetrahydroisoquinolin-1-ylmethanol
CID 51358587
(1S)-1-ethyl-1,2,3,4-tetrahydroisoquinoline
CID 40527795

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 1-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline (CID 112507559) is 1-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 1-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 1-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline is c1ccc2c(c1)CCNC2CCN1CCCc2ccccc21.
What is the InChIKey of 1-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is RXTABMVQUAJYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2/c1-3-9-18-16(6-1)11-13-21-19(18)12-15-22-14-5-8-17-7-2-4-10-20(17)22/h1-4,6-7,9-10,19,21H,5,8,11-15H2.
What are the key properties of 1-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline?
1-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 292.43 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 112507559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).