3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-ol

C21H26N2O — CID 82074045

IUPAC3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-ol
SMILESOC(CCN1CCc2ccccc2C1)c1ccc2c(c1)CCCN2
InChIInChI=1S/C21H26N2O/c24-21(18-7-8-20-17(14-18)6-3-11-22-20)10-13-23-12-9-16-4-1-2-5-19(16)15-23/h1-2,4-5,7-8,14,21-22,24H,3,6,9-13,15H2
InChIKeyJHZRMEIGCQBGJA-UHFFFAOYSA-N
MW322.45 g/mol
LogP3.53
Rot. Bonds4

About 3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-ol

3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-ol (PubChem CID 82074045) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is 3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-ol.

Molecular Properties

Compound Name3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-ol
PubChem CID82074045
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC Name3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-ol
SMILESOC(CCN1CCc2ccccc2C1)c1ccc2c(c1)CCCN2
InChIInChI=1S/C21H26N2O/c24-21(18-7-8-20-17(14-18)6-3-11-22-20)10-13-23-12-9-16-4-1-2-5-19(16)15-23/h1-2,4-5,7-8,14,21-22,24H,3,6,9-13,15H2
InChIKeyJHZRMEIGCQBGJA-UHFFFAOYSA-N
XLogP3.53
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-ol with MolForge

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Related Compounds

1H,5H-Benzo(ij)quinolizinium, 2,3,6,7-tetrahydro-9-(hydroxymethyl)-4-methyl-, iodide
CID 461842
1-(2,3-dihydro-1H-indol-5-yl)-2-(4-phenylpiperazin-1-yl)ethanol
CID 5308534
(4aS,5R,10bS)-9-tert-butyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline
CID 11163025
(4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline
CID 11163393
(4aS,5R,10bS)-9-isopropyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline
CID 11185891
(4aS,5R,10bS)-9-methyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline
CID 11300450
(4aS,5R,10bS)-9-ethyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline
CID 11392225
2-((4aS,5R,10bS)-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-9-yl)acetonitrile
CID 11472221
1-[2-Hydroxy-2-(6-hydroxy-biphenyl-3-yl)-1-methyl-ethyl]-4-phenyl-piperidin-4-ol
CID 12094039
6-(2-(4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl)-1-hydroxypropyl)-3,4-dihydroquinolin-2(1H)-one
CID 21303363
2-((((2R,4aS,5R,10bS)-9-tert-butyl-5-phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl)methyl)(ethyl)amino)ethanol
CID 46881629
(4aS,5R,10bS)-5-phenyl-9-propyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline
CID 46881841

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-ol?
The IUPAC name of 3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-ol (CID 82074045) is 3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-ol.
What is the SMILES notation for 3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-ol?
The canonical SMILES for 3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-ol is OC(CCN1CCc2ccccc2C1)c1ccc2c(c1)CCCN2.
What is the InChIKey of 3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-ol?
The InChIKey is JHZRMEIGCQBGJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O/c24-21(18-7-8-20-17(14-18)6-3-11-22-20)10-13-23-12-9-16-4-1-2-5-19(16)15-23/h1-2,4-5,7-8,14,21-22,24H,3,6,9-13,15H2.
What are the key properties of 3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-ol?
3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-ol has a molecular weight of 322.45 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-ol is sourced from PubChem (CID 82074045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).