2-[[4-(1H-indol-5-yl)phenyl]methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline

C26H26N2O2 — CID 155528271

IUPAC2-[[4-(1H-indol-5-yl)phenyl]methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
SMILESCOc1cc2c(cc1OC)CN(Cc1ccc(-c3ccc4[nH]ccc4c3)cc1)CC2
InChIInChI=1S/C26H26N2O2/c1-29-25-14-21-10-12-28(17-23(21)15-26(25)30-2)16-18-3-5-19(6-4-18)20-7-8-24-22(13-20)9-11-27-24/h3-9,11,13-15,27H,10,12,16-17H2,1-2H3
InChIKeyOOGVBKBYMMDHND-UHFFFAOYSA-N
MW398.51 g/mol
LogP5.41
Rot. Bonds5

About 2-[[4-(1H-indol-5-yl)phenyl]methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline

2-[[4-(1H-indol-5-yl)phenyl]methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline (PubChem CID 155528271) has the molecular formula C26H26N2O2 and a molecular weight of 398.51 g/mol. Its IUPAC name is 2-[[4-(1H-indol-5-yl)phenyl]methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2-[[4-(1H-indol-5-yl)phenyl]methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
PubChem CID155528271
Molecular FormulaC26H26N2O2
Molecular Weight398.51 g/mol
Exact Mass398.20
IUPAC Name2-[[4-(1H-indol-5-yl)phenyl]methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
SMILESCOc1cc2c(cc1OC)CN(Cc1ccc(-c3ccc4[nH]ccc4c3)cc1)CC2
InChIInChI=1S/C26H26N2O2/c1-29-25-14-21-10-12-28(17-23(21)15-26(25)30-2)16-18-3-5-19(6-4-18)20-7-8-24-22(13-20)9-11-27-24/h3-9,11,13-15,27H,10,12,16-17H2,1-2H3
InChIKeyOOGVBKBYMMDHND-UHFFFAOYSA-N
XLogP5.41
TPSA37.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.51
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[[4-(1H-indol-5-yl)phenyl]methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(1H-indol-5-yl)phenyl]methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2-[[4-(1H-indol-5-yl)phenyl]methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline (CID 155528271) is 2-[[4-(1H-indol-5-yl)phenyl]methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2-[[4-(1H-indol-5-yl)phenyl]methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2-[[4-(1H-indol-5-yl)phenyl]methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline is COc1cc2c(cc1OC)CN(Cc1ccc(-c3ccc4[nH]ccc4c3)cc1)CC2.
What is the InChIKey of 2-[[4-(1H-indol-5-yl)phenyl]methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline?
The InChIKey is OOGVBKBYMMDHND-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O2/c1-29-25-14-21-10-12-28(17-23(21)15-26(25)30-2)16-18-3-5-19(6-4-18)20-7-8-24-22(13-20)9-11-27-24/h3-9,11,13-15,27H,10,12,16-17H2,1-2H3.
What are the key properties of 2-[[4-(1H-indol-5-yl)phenyl]methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline?
2-[[4-(1H-indol-5-yl)phenyl]methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline has a molecular weight of 398.51 g/mol, XLogP of 5.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(1H-indol-5-yl)phenyl]methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 155528271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).