1-[(1R)-1,2,3,4-tetrahydroisoquinolin-1-yl]isoquinoline

C18H16N2 — CID 54756531

IUPAC1-[(1R)-1,2,3,4-tetrahydroisoquinolin-1-yl]isoquinoline
SMILESc1ccc2c(c1)CCN[C@H]2c1nccc2ccccc12
InChIInChI=1S/C18H16N2/c1-3-7-15-13(5-1)9-11-19-17(15)18-16-8-4-2-6-14(16)10-12-20-18/h1-9,11,18,20H,10,12H2/t18-/m1/s1
InChIKeyPFDLMXVQNMYIRQ-GOSISDBHSA-N
MW260.34 g/mol
LogP3.47
Rot. Bonds1

About 1-[(1R)-1,2,3,4-tetrahydroisoquinolin-1-yl]isoquinoline

1-[(1R)-1,2,3,4-tetrahydroisoquinolin-1-yl]isoquinoline (PubChem CID 54756531) has the molecular formula C18H16N2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-[(1R)-1,2,3,4-tetrahydroisoquinolin-1-yl]isoquinoline.

Molecular Properties

Compound Name1-[(1R)-1,2,3,4-tetrahydroisoquinolin-1-yl]isoquinoline
PubChem CID54756531
Molecular FormulaC18H16N2
Molecular Weight260.34 g/mol
Exact Mass260.13
IUPAC Name1-[(1R)-1,2,3,4-tetrahydroisoquinolin-1-yl]isoquinoline
SMILESc1ccc2c(c1)CCN[C@H]2c1nccc2ccccc12
InChIInChI=1S/C18H16N2/c1-3-7-15-13(5-1)9-11-19-17(15)18-16-8-4-2-6-14(16)10-12-20-18/h1-9,11,18,20H,10,12H2/t18-/m1/s1
InChIKeyPFDLMXVQNMYIRQ-GOSISDBHSA-N
XLogP3.47
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(azetidin-2-yl)isoquinoline
CID 55293778
6-(1,2,3,4-tetrahydroisoquinolin-1-yl)quinoline
CID 81228390
5-bromo-7-(1,2,3,4-tetrahydroisoquinolin-1-yl)quinolin-8-ol
CID 131987057
1-(1,2,4-triazin-3-yl)-1,2,3,4-tetrahydroisoquinoline
CID 143186331
(1S)-1-(1H-indol-3-yl)-1,2,3,4-tetrahydroisoquinoline
CID 905885
1-cycloundecylisoquinoline
CID 137392148
1-piperidin-3-ylisoquinoline
CID 84782419
(1R)-1-(furan-2-yl)-1,2,3,4-tetrahydroisoquinoline;hydrochloride
CID 168869361
(2S,3S)-2,3-dihydroxybutanedioic acid;(1R)-1-pyridin-2-yl-1,2,3,4-tetrahydroisoquinoline
CID 86753649
6-methoxy-1-naphthalen-1-yl-1,2,3,4-tetrahydroisoquinoline
CID 4019885
1-(thietan-2-yl)isoquinoline
CID 143276682
1-naphthalen-1-yl-6-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline
CID 3925916

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1,2,3,4-tetrahydroisoquinolin-1-yl]isoquinoline?
The IUPAC name of 1-[(1R)-1,2,3,4-tetrahydroisoquinolin-1-yl]isoquinoline (CID 54756531) is 1-[(1R)-1,2,3,4-tetrahydroisoquinolin-1-yl]isoquinoline.
What is the SMILES notation for 1-[(1R)-1,2,3,4-tetrahydroisoquinolin-1-yl]isoquinoline?
The canonical SMILES for 1-[(1R)-1,2,3,4-tetrahydroisoquinolin-1-yl]isoquinoline is c1ccc2c(c1)CCN[C@H]2c1nccc2ccccc12.
What is the InChIKey of 1-[(1R)-1,2,3,4-tetrahydroisoquinolin-1-yl]isoquinoline?
The InChIKey is PFDLMXVQNMYIRQ-GOSISDBHSA-N. The full InChI is InChI=1S/C18H16N2/c1-3-7-15-13(5-1)9-11-19-17(15)18-16-8-4-2-6-14(16)10-12-20-18/h1-9,11,18,20H,10,12H2/t18-/m1/s1.
What are the key properties of 1-[(1R)-1,2,3,4-tetrahydroisoquinolin-1-yl]isoquinoline?
1-[(1R)-1,2,3,4-tetrahydroisoquinolin-1-yl]isoquinoline has a molecular weight of 260.34 g/mol, XLogP of 3.47, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1,2,3,4-tetrahydroisoquinolin-1-yl]isoquinoline is sourced from PubChem (CID 54756531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).