4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-1,2,3,4-tetrahydroisoquinoline

C18H26N2 — CID 102726652

IUPAC4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-1,2,3,4-tetrahydroisoquinoline
SMILESc1ccc2c(c1)CNCC2N1CCC[C@H]2CCCC[C@H]21
InChIInChI=1S/C18H26N2/c1-3-9-16-15(7-1)12-19-13-18(16)20-11-5-8-14-6-2-4-10-17(14)20/h1,3,7,9,14,17-19H,2,4-6,8,10-13H2/t14-,17-,18?/m1/s1
InChIKeyAAFAJTWCSUIFTP-OMOCGIRRSA-N
MW270.42 g/mol
LogP3.49
Rot. Bonds1

About 4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-1,2,3,4-tetrahydroisoquinoline

4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-1,2,3,4-tetrahydroisoquinoline (PubChem CID 102726652) has the molecular formula C18H26N2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-1,2,3,4-tetrahydroisoquinoline
PubChem CID102726652
Molecular FormulaC18H26N2
Molecular Weight270.42 g/mol
Exact Mass270.21
IUPAC Name4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-1,2,3,4-tetrahydroisoquinoline
SMILESc1ccc2c(c1)CNCC2N1CCC[C@H]2CCCC[C@H]21
InChIInChI=1S/C18H26N2/c1-3-9-16-15(7-1)12-19-13-18(16)20-11-5-8-14-6-2-4-10-17(14)20/h1,3,7,9,14,17-19H,2,4-6,8,10-13H2/t14-,17-,18?/m1/s1
InChIKeyAAFAJTWCSUIFTP-OMOCGIRRSA-N
XLogP3.49
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-1,2,3,4-tetrahydroisoquinoline with MolForge

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Launch Full Analysis

Related Compounds

4-(2-methylpyrrolidin-1-yl)-1,2,3,4-tetrahydroisoquinoline
CID 63938389
1-(1,2,3,4-tetrahydronaphthalen-1-yl)-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102678082
4-(2,2-dimethylpyrrolidin-1-yl)-1,2,3,4-tetrahydroisoquinoline
CID 63938983
4-(3-ethylpiperidin-1-yl)-1,2,3,4-tetrahydroisoquinoline
CID 63939942
4-(4-methyl-1,4-diazepan-1-yl)-1,2,3,4-tetrahydroisoquinoline
CID 63938382
4-(1,2,3,4-tetrahydroisoquinolin-4-yl)-1,4-oxazepane
CID 63939569
4-(2,3,5-trimethylpiperidin-1-yl)-1,2,3,4-tetrahydroisoquinoline
CID 114593554
6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
CID 65320050
4-pyrazol-1-yl-1,2,3,4-tetrahydroisoquinoline
CID 54594300
4-(4-propan-2-ylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline
CID 63940134
5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol
CID 82958621
3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3,4-dihydro-2H-chromen-4-amine
CID 102725956

Frequently Asked Questions

What is the IUPAC name of 4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-1,2,3,4-tetrahydroisoquinoline (CID 102726652) is 4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-1,2,3,4-tetrahydroisoquinoline is c1ccc2c(c1)CNCC2N1CCC[C@H]2CCCC[C@H]21.
What is the InChIKey of 4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is AAFAJTWCSUIFTP-OMOCGIRRSA-N. The full InChI is InChI=1S/C18H26N2/c1-3-9-16-15(7-1)12-19-13-18(16)20-11-5-8-14-6-2-4-10-17(14)20/h1,3,7,9,14,17-19H,2,4-6,8,10-13H2/t14-,17-,18?/m1/s1.
What are the key properties of 4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-1,2,3,4-tetrahydroisoquinoline?
4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 270.42 g/mol, XLogP of 3.49, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 102726652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).