2-(6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)quinoline

C22H24N2O2 — CID 4040394

IUPAC2-(6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)quinoline
SMILESCCOc1cc2c(cc1OCC)C(c1ccc3ccccc3n1)NCC2
InChIInChI=1S/C22H24N2O2/c1-3-25-20-13-16-11-12-23-22(17(16)14-21(20)26-4-2)19-10-9-15-7-5-6-8-18(15)24-19/h5-10,13-14,22-23H,3-4,11-12H2,1-2H3
InChIKeyGMNWUKAJFRRVCL-UHFFFAOYSA-N
MW348.45 g/mol
LogP4.27
Rot. Bonds5

About 2-(6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)quinoline

2-(6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)quinoline (PubChem CID 4040394) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 2-(6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)quinoline.

Molecular Properties

Compound Name2-(6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)quinoline
PubChem CID4040394
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Name2-(6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)quinoline
SMILESCCOc1cc2c(cc1OCC)C(c1ccc3ccccc3n1)NCC2
InChIInChI=1S/C22H24N2O2/c1-3-25-20-13-16-11-12-23-22(17(16)14-21(20)26-4-2)19-10-9-15-7-5-6-8-18(15)24-19/h5-10,13-14,22-23H,3-4,11-12H2,1-2H3
InChIKeyGMNWUKAJFRRVCL-UHFFFAOYSA-N
XLogP4.27
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(7-ethoxy-6-methoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)quinoline
CID 3274019
(1S)-6,7-diethoxy-1-(6-methyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline
CID 729201
(1R)-6,7-diethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinoline
CID 672733
2-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)quinoline
CID 4317391
1-quinolin-2-yl-1,2,3,4-tetrahydroisoquinolin-6-ol
CID 4000176
2-[(1S)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]phenol
CID 674048
6,7-diethoxy-1-(2-methylphenyl)-1,2,3,4-tetrahydroisoquinoline;hydrochloride
CID 90485238
(1R)-6,7-diethoxy-1-(4-ethoxyphenyl)-1,2,3,4-tetrahydroisoquinoline
CID 672677
(1S)-6,7-diethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline
CID 7157327
6,7-dimethoxy-1-(6-methyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline
CID 5138139
(1S)-1-(3,4-dimethylphenyl)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinoline
CID 672749
1-(2,6-dimethylphenyl)-7-ethoxy-6-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 3948451

Frequently Asked Questions

What is the IUPAC name of 2-(6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)quinoline?
The IUPAC name of 2-(6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)quinoline (CID 4040394) is 2-(6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)quinoline.
What is the SMILES notation for 2-(6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)quinoline?
The canonical SMILES for 2-(6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)quinoline is CCOc1cc2c(cc1OCC)C(c1ccc3ccccc3n1)NCC2.
What is the InChIKey of 2-(6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)quinoline?
The InChIKey is GMNWUKAJFRRVCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-3-25-20-13-16-11-12-23-22(17(16)14-21(20)26-4-2)19-10-9-15-7-5-6-8-18(15)24-19/h5-10,13-14,22-23H,3-4,11-12H2,1-2H3.
What are the key properties of 2-(6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)quinoline?
2-(6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)quinoline has a molecular weight of 348.45 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)quinoline is sourced from PubChem (CID 4040394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).