1-(5-methoxy-1H-indol-3-yl)-2-[(4-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline

C26H26N2O2 — CID 132838842

IUPAC1-(5-methoxy-1H-indol-3-yl)-2-[(4-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline
SMILESCOc1ccc(CN2CCc3ccccc3C2c2c[nH]c3ccc(OC)cc23)cc1
InChIInChI=1S/C26H26N2O2/c1-29-20-9-7-18(8-10-20)17-28-14-13-19-5-3-4-6-22(19)26(28)24-16-27-25-12-11-21(30-2)15-23(24)25/h3-12,15-16,26-27H,13-14,17H2,1-2H3
InChIKeyVWQGHPXZLYDIIA-UHFFFAOYSA-N
MW398.51 g/mol
LogP5.33
Rot. Bonds5

About 1-(5-methoxy-1H-indol-3-yl)-2-[(4-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline

1-(5-methoxy-1H-indol-3-yl)-2-[(4-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline (PubChem CID 132838842) has the molecular formula C26H26N2O2 and a molecular weight of 398.51 g/mol. Its IUPAC name is 1-(5-methoxy-1H-indol-3-yl)-2-[(4-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name1-(5-methoxy-1H-indol-3-yl)-2-[(4-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline
PubChem CID132838842
Molecular FormulaC26H26N2O2
Molecular Weight398.51 g/mol
Exact Mass398.20
IUPAC Name1-(5-methoxy-1H-indol-3-yl)-2-[(4-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline
SMILESCOc1ccc(CN2CCc3ccccc3C2c2c[nH]c3ccc(OC)cc23)cc1
InChIInChI=1S/C26H26N2O2/c1-29-20-9-7-18(8-10-20)17-28-14-13-19-5-3-4-6-22(19)26(28)24-16-27-25-12-11-21(30-2)15-23(24)25/h3-12,15-16,26-27H,13-14,17H2,1-2H3
InChIKeyVWQGHPXZLYDIIA-UHFFFAOYSA-N
XLogP5.33
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 ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(5-methoxy-1H-indol-3-yl)-2-[(4-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline with MolForge

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Related Compounds

(1S)-2-[(4-methoxyphenyl)methyl]-1-[(E)-prop-1-enyl]-3,4-dihydro-1H-isoquinoline
CID 102483415
3,6-bis(5-methoxy-1H-indol-3-yl)-1,4-dimethylpiperazine-2,5-dione
CID 134818183
2-[(4-fluorophenyl)methyl]-6,7-dimethoxy-1-(4-methoxyphenyl)-3,4-dihydro-1H-isoquinoline
CID 24756739
1-[(4-methoxyphenyl)methyl]-2-propyl-3,4-dihydro-1H-isoquinoline
CID 71396455
1-(2,3-dihydroindol-1-yl)-2-(5-methoxy-1H-indol-3-yl)ethanone
CID 110856984
3-[(2S)-azetidin-2-yl]-5-methoxy-1H-indole
CID 171196660
1-[(5-methoxy-1H-indol-3-yl)methyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine-4-carboxamide
CID 97045189
5-methoxy-3-(1-propan-2-ylpiperidin-4-yl)-1H-indole
CID 47538804
3-(5-methoxy-1H-indol-3-yl)-1-methylpyrrolidine-2,2,5,5-tetrol
CID 167471754
5-methoxy-3-[[(2R)-1-[(4-propan-2-ylphenyl)methyl]pyrrolidin-2-yl]methyl]-1H-indole
CID 176854720
1-[2-[[1-(3-methoxyphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]methyl]phenyl]-2-methylpropan-1-one
CID 141355322
2-(4-fluorophenyl)-1-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]ethanone
CID 113087543

Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxy-1H-indol-3-yl)-2-[(4-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 1-(5-methoxy-1H-indol-3-yl)-2-[(4-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline (CID 132838842) is 1-(5-methoxy-1H-indol-3-yl)-2-[(4-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 1-(5-methoxy-1H-indol-3-yl)-2-[(4-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 1-(5-methoxy-1H-indol-3-yl)-2-[(4-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline is COc1ccc(CN2CCc3ccccc3C2c2c[nH]c3ccc(OC)cc23)cc1.
What is the InChIKey of 1-(5-methoxy-1H-indol-3-yl)-2-[(4-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline?
The InChIKey is VWQGHPXZLYDIIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O2/c1-29-20-9-7-18(8-10-20)17-28-14-13-19-5-3-4-6-22(19)26(28)24-16-27-25-12-11-21(30-2)15-23(24)25/h3-12,15-16,26-27H,13-14,17H2,1-2H3.
What are the key properties of 1-(5-methoxy-1H-indol-3-yl)-2-[(4-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline?
1-(5-methoxy-1H-indol-3-yl)-2-[(4-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline has a molecular weight of 398.51 g/mol, XLogP of 5.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxy-1H-indol-3-yl)-2-[(4-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 132838842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).