3-(1,2,3,4,5,6-hexahydroisoquinolin-1-yl)quinoline

C18H18N2 — CID 140531216

IUPAC3-(1,2,3,4,5,6-hexahydroisoquinolin-1-yl)quinoline
SMILESC1=CC2=C(CC1)CCNC2c1cnc2ccccc2c1
InChIInChI=1S/C18H18N2/c1-3-7-16-13(5-1)9-10-19-18(16)15-11-14-6-2-4-8-17(14)20-12-15/h2-4,6-8,11-12,18-19H,1,5,9-10H2
InChIKeyGLIGRHGDGULGCJ-UHFFFAOYSA-N
MW262.36 g/mol
LogP3.92
Rot. Bonds1

About 3-(1,2,3,4,5,6-hexahydroisoquinolin-1-yl)quinoline

3-(1,2,3,4,5,6-hexahydroisoquinolin-1-yl)quinoline (PubChem CID 140531216) has the molecular formula C18H18N2 and a molecular weight of 262.36 g/mol. Its IUPAC name is 3-(1,2,3,4,5,6-hexahydroisoquinolin-1-yl)quinoline.

Molecular Properties

Compound Name3-(1,2,3,4,5,6-hexahydroisoquinolin-1-yl)quinoline
PubChem CID140531216
Molecular FormulaC18H18N2
Molecular Weight262.36 g/mol
Exact Mass262.15
IUPAC Name3-(1,2,3,4,5,6-hexahydroisoquinolin-1-yl)quinoline
SMILESC1=CC2=C(CC1)CCNC2c1cnc2ccccc2c1
InChIInChI=1S/C18H18N2/c1-3-7-16-13(5-1)9-10-19-18(16)15-11-14-6-2-4-8-17(14)20-12-15/h2-4,6-8,11-12,18-19H,1,5,9-10H2
InChIKeyGLIGRHGDGULGCJ-UHFFFAOYSA-N
XLogP3.92
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2S)-azetidin-2-yl]quinoline
CID 55278758
3-[(2S)-aziridin-2-yl]quinoline
CID 55263274
6-(1,2,3,4-tetrahydroisoquinolin-1-yl)quinoline
CID 81228390
3-quinolin-3-ylcyclobutan-1-amine
CID 116985150
3-(5-methylidenespiro[2.3]hexan-2-yl)quinoline
CID 166437321
(6E)-6-(quinolin-3-ylmethylidene)cyclohex-2-en-1-one
CID 162664345
3-(2,3-dihydro-1H-indol-2-yl)quinoline
CID 65041840
6-[(2R)-azepan-2-yl]quinoline
CID 40638182
2-quinolin-3-ylcyclopropane-1-carboxylic acid
CID 67290101
3-(4-ethylcyclohexyl)quinoline
CID 145078390
5-quinolin-3-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 82557216
3-piperazin-1-ylquinoline;dihydrochloride
CID 54593446

Frequently Asked Questions

What is the IUPAC name of 3-(1,2,3,4,5,6-hexahydroisoquinolin-1-yl)quinoline?
The IUPAC name of 3-(1,2,3,4,5,6-hexahydroisoquinolin-1-yl)quinoline (CID 140531216) is 3-(1,2,3,4,5,6-hexahydroisoquinolin-1-yl)quinoline.
What is the SMILES notation for 3-(1,2,3,4,5,6-hexahydroisoquinolin-1-yl)quinoline?
The canonical SMILES for 3-(1,2,3,4,5,6-hexahydroisoquinolin-1-yl)quinoline is C1=CC2=C(CC1)CCNC2c1cnc2ccccc2c1.
What is the InChIKey of 3-(1,2,3,4,5,6-hexahydroisoquinolin-1-yl)quinoline?
The InChIKey is GLIGRHGDGULGCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2/c1-3-7-16-13(5-1)9-10-19-18(16)15-11-14-6-2-4-8-17(14)20-12-15/h2-4,6-8,11-12,18-19H,1,5,9-10H2.
What are the key properties of 3-(1,2,3,4,5,6-hexahydroisoquinolin-1-yl)quinoline?
3-(1,2,3,4,5,6-hexahydroisoquinolin-1-yl)quinoline has a molecular weight of 262.36 g/mol, XLogP of 3.92, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2,3,4,5,6-hexahydroisoquinolin-1-yl)quinoline is sourced from PubChem (CID 140531216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).