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

C21H22N2O2 — CID 3274019

IUPAC2-(7-ethoxy-6-methoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)quinoline
SMILESCCOc1cc2c(cc1OC)CCNC2c1ccc2ccccc2n1
InChIInChI=1S/C21H22N2O2/c1-3-25-20-13-16-15(12-19(20)24-2)10-11-22-21(16)18-9-8-14-6-4-5-7-17(14)23-18/h4-9,12-13,21-22H,3,10-11H2,1-2H3
InChIKeyRLIAVJRLGFMAMG-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.88
Rot. Bonds4

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

2-(7-ethoxy-6-methoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)quinoline (PubChem CID 3274019) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-(7-ethoxy-6-methoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)quinoline.

Molecular Properties

Compound Name2-(7-ethoxy-6-methoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)quinoline
PubChem CID3274019
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC Name2-(7-ethoxy-6-methoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)quinoline
SMILESCCOc1cc2c(cc1OC)CCNC2c1ccc2ccccc2n1
InChIInChI=1S/C21H22N2O2/c1-3-25-20-13-16-15(12-19(20)24-2)10-11-22-21(16)18-9-8-14-6-4-5-7-17(14)23-18/h4-9,12-13,21-22H,3,10-11H2,1-2H3
InChIKeyRLIAVJRLGFMAMG-UHFFFAOYSA-N
XLogP3.88
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)quinoline
CID 4040394
(1S)-6,7-diethoxy-1-(6-methyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline
CID 729201
2-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)quinoline
CID 4317391
6,7-dimethoxy-1-(6-methyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline
CID 5138139
1-(2,6-dimethylphenyl)-7-ethoxy-6-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 3948451
6-ethoxy-1-(4-ethoxy-3-methoxyphenyl)-7-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 4318685
1-(3,4-dimethoxyphenyl)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinoline
CID 3351200
(1S)-1-(3,4-dimethoxyphenyl)-6-ethoxy-7-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 729177
(1R)-6,7-diethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinoline
CID 672733
7-ethoxy-6-methoxy-1-(2,4,5-trimethylphenyl)-1,2,3,4-tetrahydroisoquinoline
CID 5135970
1-(4-bromophenyl)-7-ethoxy-6-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 5105093
1-(2,5-dimethoxyphenyl)-7-ethoxy-6-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 5145855

Frequently Asked Questions

What is the IUPAC name of 2-(7-ethoxy-6-methoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)quinoline?
The IUPAC name of 2-(7-ethoxy-6-methoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)quinoline (CID 3274019) is 2-(7-ethoxy-6-methoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)quinoline.
What is the SMILES notation for 2-(7-ethoxy-6-methoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)quinoline?
The canonical SMILES for 2-(7-ethoxy-6-methoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)quinoline is CCOc1cc2c(cc1OC)CCNC2c1ccc2ccccc2n1.
What is the InChIKey of 2-(7-ethoxy-6-methoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)quinoline?
The InChIKey is RLIAVJRLGFMAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-3-25-20-13-16-15(12-19(20)24-2)10-11-22-21(16)18-9-8-14-6-4-5-7-17(14)23-18/h4-9,12-13,21-22H,3,10-11H2,1-2H3.
What are the key properties of 2-(7-ethoxy-6-methoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)quinoline?
2-(7-ethoxy-6-methoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)quinoline has a molecular weight of 334.42 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-ethoxy-6-methoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)quinoline is sourced from PubChem (CID 3274019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).