(1R)-1-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline

C22H26N2O2 — CID 155395844

IUPAC(1R)-1-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline
SMILESCOc1cc2c(cc1OC)[C@@H](CCc1c[nH]c3ccccc13)N(C)CC2
InChIInChI=1S/C22H26N2O2/c1-24-11-10-15-12-21(25-2)22(26-3)13-18(15)20(24)9-8-16-14-23-19-7-5-4-6-17(16)19/h4-7,12-14,20,23H,8-11H2,1-3H3/t20-/m1/s1
InChIKeyIHRVIZFTWQUCBV-HXUWFJFHSA-N
MW350.46 g/mol
LogP4.35
Rot. Bonds5

About (1R)-1-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline

(1R)-1-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline (PubChem CID 155395844) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is (1R)-1-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name(1R)-1-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline
PubChem CID155395844
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name(1R)-1-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline
SMILESCOc1cc2c(cc1OC)[C@@H](CCc1c[nH]c3ccccc13)N(C)CC2
InChIInChI=1S/C22H26N2O2/c1-24-11-10-15-12-21(25-2)22(26-3)13-18(15)20(24)9-8-16-14-23-19-7-5-4-6-17(16)19/h4-7,12-14,20,23H,8-11H2,1-3H3/t20-/m1/s1
InChIKeyIHRVIZFTWQUCBV-HXUWFJFHSA-N
XLogP4.35
TPSA37.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1R)-1-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline with MolForge

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Related Compounds

7-ethoxy-6-methoxy-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-methyl-3,4-dihydro-1H-isoquinoline
CID 155395806
methyl 2-[1-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]acetate
CID 139399335
(2R)-2-[1-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]propanal
CID 155384957
6-ethoxy-1-[2-(1H-indol-3-yl)ethyl]-7-methoxy-2-(oxan-4-ylmethyl)-3,4-dihydro-1H-isoquinoline
CID 170742413
[(1R)-1-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-(oxan-4-yl)methanone
CID 139399331
[1-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-(oxan-4-yl)methanone
CID 139399324
1-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-2-(3-oxaspiro[5.5]undecan-9-ylmethyl)-3,4-dihydro-1H-isoquinoline
CID 170742405
(1R)-7-(cyclopropylmethoxy)-1-[2-(1H-indol-3-yl)ethyl]-6-methoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 155395762
6-methoxy-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-methyl-3,4-dihydro-1H-isoquinoline-7-carbaldehyde
CID 139399583
1-[2-(1H-indol-3-yl)ethyl]-7-methoxy-6-[2-(4-methylpiperazin-1-yl)ethoxy]-2-(oxan-4-ylmethyl)-3,4-dihydro-1H-isoquinoline
CID 170742360
2-[[1-[2-(1H-indol-3-yl)ethyl]-7-methoxy-2-(oxan-4-ylmethyl)-3,4-dihydro-1H-isoquinolin-6-yl]oxy]ethanamine
CID 176889432
7-butyl-1-[2-(1H-indol-3-yl)ethyl]-6-methoxy-3,4-dihydro-1H-isoquinoline-2-carbaldehyde
CID 155395710

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of (1R)-1-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline (CID 155395844) is (1R)-1-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for (1R)-1-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for (1R)-1-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline is COc1cc2c(cc1OC)[C@@H](CCc1c[nH]c3ccccc13)N(C)CC2.
What is the InChIKey of (1R)-1-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline?
The InChIKey is IHRVIZFTWQUCBV-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-24-11-10-15-12-21(25-2)22(26-3)13-18(15)20(24)9-8-16-14-23-19-7-5-4-6-17(16)19/h4-7,12-14,20,23H,8-11H2,1-3H3/t20-/m1/s1.
What are the key properties of (1R)-1-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline?
(1R)-1-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline has a molecular weight of 350.46 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 155395844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).