(1S)-6,7-diethoxy-1-(6-methyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline

C19H24N2O2 — CID 729201

IUPAC(1S)-6,7-diethoxy-1-(6-methyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline
SMILESCCOc1cc2c(cc1OCC)[C@@H](c1cccc(C)n1)NCC2
InChIInChI=1S/C19H24N2O2/c1-4-22-17-11-14-9-10-20-19(15(14)12-18(17)23-5-2)16-8-6-7-13(3)21-16/h6-8,11-12,19-20H,4-5,9-10H2,1-3H3/t19-/m0/s1
InChIKeyLEEUVQZTYQCXTA-IBGZPJMESA-N
MW312.41 g/mol
LogP3.42
Rot. Bonds5

About (1S)-6,7-diethoxy-1-(6-methyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline

(1S)-6,7-diethoxy-1-(6-methyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline (PubChem CID 729201) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is (1S)-6,7-diethoxy-1-(6-methyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name(1S)-6,7-diethoxy-1-(6-methyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline
PubChem CID729201
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name(1S)-6,7-diethoxy-1-(6-methyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline
SMILESCCOc1cc2c(cc1OCC)[C@@H](c1cccc(C)n1)NCC2
InChIInChI=1S/C19H24N2O2/c1-4-22-17-11-14-9-10-20-19(15(14)12-18(17)23-5-2)16-8-6-7-13(3)21-16/h6-8,11-12,19-20H,4-5,9-10H2,1-3H3/t19-/m0/s1
InChIKeyLEEUVQZTYQCXTA-IBGZPJMESA-N
XLogP3.42
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1S)-6,7-diethoxy-1-(6-methyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6,7-dimethoxy-1-(6-methyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline
CID 5138139
2-(6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)quinoline
CID 4040394
2-[[6-methoxy-1-(6-methyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy]-N,N-dimethylethanamine
CID 4280899
2-(7-ethoxy-6-methoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)quinoline
CID 3274019
(1R)-6,7-diethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinoline
CID 672733
6,7-diethoxy-1-(2-methylphenyl)-1,2,3,4-tetrahydroisoquinoline;hydrochloride
CID 90485238
1-(2,6-dimethylphenyl)-7-ethoxy-6-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 3948451
6-(6-methyl-2-pyridinyl)-2,3,6,7,8,9-hexahydro-[1,4]dioxino[2,3-g]isoquinoline
CID 5094408
2-[(1S)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]phenol
CID 674048
(1S)-1-(3,4-dimethylphenyl)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinoline
CID 672749
(1R)-6,7-diethoxy-1-(4-ethoxyphenyl)-1,2,3,4-tetrahydroisoquinoline
CID 672677
6,7-diethoxy-1-(2-methoxy-5-methylphenyl)-1,2,3,4-tetrahydroisoquinoline
CID 3994992

Frequently Asked Questions

What is the IUPAC name of (1S)-6,7-diethoxy-1-(6-methyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of (1S)-6,7-diethoxy-1-(6-methyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline (CID 729201) is (1S)-6,7-diethoxy-1-(6-methyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for (1S)-6,7-diethoxy-1-(6-methyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for (1S)-6,7-diethoxy-1-(6-methyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline is CCOc1cc2c(cc1OCC)[C@@H](c1cccc(C)n1)NCC2.
What is the InChIKey of (1S)-6,7-diethoxy-1-(6-methyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is LEEUVQZTYQCXTA-IBGZPJMESA-N. The full InChI is InChI=1S/C19H24N2O2/c1-4-22-17-11-14-9-10-20-19(15(14)12-18(17)23-5-2)16-8-6-7-13(3)21-16/h6-8,11-12,19-20H,4-5,9-10H2,1-3H3/t19-/m0/s1.
What are the key properties of (1S)-6,7-diethoxy-1-(6-methyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline?
(1S)-6,7-diethoxy-1-(6-methyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 312.41 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-6,7-diethoxy-1-(6-methyl-2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 729201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).