6-(1,2,3,4-tetrahydroisoquinolin-1-yl)quinoline

C18H16N2 — CID 81228390

IUPAC6-(1,2,3,4-tetrahydroisoquinolin-1-yl)quinoline
SMILESc1ccc2c(c1)CCNC2c1ccc2ncccc2c1
InChIInChI=1S/C18H16N2/c1-2-6-16-13(4-1)9-11-20-18(16)15-7-8-17-14(12-15)5-3-10-19-17/h1-8,10,12,18,20H,9,11H2
InChIKeyKJDVKOSTMPSNKP-UHFFFAOYSA-N
MW260.34 g/mol
LogP3.47
Rot. Bonds1

About 6-(1,2,3,4-tetrahydroisoquinolin-1-yl)quinoline

6-(1,2,3,4-tetrahydroisoquinolin-1-yl)quinoline (PubChem CID 81228390) has the molecular formula C18H16N2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 6-(1,2,3,4-tetrahydroisoquinolin-1-yl)quinoline.

Molecular Properties

Compound Name6-(1,2,3,4-tetrahydroisoquinolin-1-yl)quinoline
PubChem CID81228390
Molecular FormulaC18H16N2
Molecular Weight260.34 g/mol
Exact Mass260.13
IUPAC Name6-(1,2,3,4-tetrahydroisoquinolin-1-yl)quinoline
SMILESc1ccc2c(c1)CCNC2c1ccc2ncccc2c1
InChIInChI=1S/C18H16N2/c1-2-6-16-13(4-1)9-11-20-18(16)15-7-8-17-14(12-15)5-3-10-19-17/h1-8,10,12,18,20H,9,11H2
InChIKeyKJDVKOSTMPSNKP-UHFFFAOYSA-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-[(1R)-1,2,3,4-tetrahydroisoquinolin-1-yl]isoquinoline
CID 54756531
1-(1,2,4-triazin-3-yl)-1,2,3,4-tetrahydroisoquinoline
CID 143186331
6-[(2R)-azepan-2-yl]quinoline
CID 40638182
2,3-dihydro-1H-isoindol-1-yl(quinolin-6-yl)methanol
CID 65041727
(1S)-1-(3-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline
CID 7010656
2,3-dihydro-1H-indole;quinoline
CID 174869582
3-(1,2,3,4,5,6-hexahydroisoquinolin-1-yl)quinoline
CID 140531216
(1R)-1-(1,3-benzodioxol-5-yl)-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 11196421
1-[4-(1,2,3,4-tetrahydroisoquinolin-1-yl)phenyl]ethanone
CID 57224737
acetic acid;6-pyrrolidin-2-ylquinoline
CID 16740812
(2S,3S)-2,3-dihydroxybutanedioic acid;(1R)-1-pyridin-2-yl-1,2,3,4-tetrahydroisoquinoline
CID 86753649
6-(1-phenylpyrrolidin-2-yl)quinoline
CID 138973287

Frequently Asked Questions

What is the IUPAC name of 6-(1,2,3,4-tetrahydroisoquinolin-1-yl)quinoline?
The IUPAC name of 6-(1,2,3,4-tetrahydroisoquinolin-1-yl)quinoline (CID 81228390) is 6-(1,2,3,4-tetrahydroisoquinolin-1-yl)quinoline.
What is the SMILES notation for 6-(1,2,3,4-tetrahydroisoquinolin-1-yl)quinoline?
The canonical SMILES for 6-(1,2,3,4-tetrahydroisoquinolin-1-yl)quinoline is c1ccc2c(c1)CCNC2c1ccc2ncccc2c1.
What is the InChIKey of 6-(1,2,3,4-tetrahydroisoquinolin-1-yl)quinoline?
The InChIKey is KJDVKOSTMPSNKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2/c1-2-6-16-13(4-1)9-11-20-18(16)15-7-8-17-14(12-15)5-3-10-19-17/h1-8,10,12,18,20H,9,11H2.
What are the key properties of 6-(1,2,3,4-tetrahydroisoquinolin-1-yl)quinoline?
6-(1,2,3,4-tetrahydroisoquinolin-1-yl)quinoline 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 6-(1,2,3,4-tetrahydroisoquinolin-1-yl)quinoline is sourced from PubChem (CID 81228390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).