3-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-1-methylindol-2-ol

C20H20N2O3 — CID 135470258

IUPAC3-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-1-methylindol-2-ol
SMILESCOc1cc2c(cc1OC)C(c1c(O)n(C)c3ccccc13)=NCC2
InChIInChI=1S/C20H20N2O3/c1-22-15-7-5-4-6-13(15)18(20(22)23)19-14-11-17(25-3)16(24-2)10-12(14)8-9-21-19/h4-7,10-11,23H,8-9H2,1-3H3
InChIKeyHWVQNLYOEBYFAQ-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.29
Rot. Bonds3

About 3-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-1-methylindol-2-ol

3-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-1-methylindol-2-ol (PubChem CID 135470258) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is 3-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-1-methylindol-2-ol.

Molecular Properties

Compound Name3-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-1-methylindol-2-ol
PubChem CID135470258
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name3-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-1-methylindol-2-ol
SMILESCOc1cc2c(cc1OC)C(c1c(O)n(C)c3ccccc13)=NCC2
InChIInChI=1S/C20H20N2O3/c1-22-15-7-5-4-6-13(15)18(20(22)23)19-14-11-17(25-3)16(24-2)10-12(14)8-9-21-19/h4-7,10-11,23H,8-9H2,1-3H3
InChIKeyHWVQNLYOEBYFAQ-UHFFFAOYSA-N
XLogP3.29
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-1-methylindol-2-ol?
The IUPAC name of 3-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-1-methylindol-2-ol (CID 135470258) is 3-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-1-methylindol-2-ol.
What is the SMILES notation for 3-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-1-methylindol-2-ol?
The canonical SMILES for 3-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-1-methylindol-2-ol is COc1cc2c(cc1OC)C(c1c(O)n(C)c3ccccc13)=NCC2.
What is the InChIKey of 3-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-1-methylindol-2-ol?
The InChIKey is HWVQNLYOEBYFAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-22-15-7-5-4-6-13(15)18(20(22)23)19-14-11-17(25-3)16(24-2)10-12(14)8-9-21-19/h4-7,10-11,23H,8-9H2,1-3H3.
What are the key properties of 3-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-1-methylindol-2-ol?
3-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-1-methylindol-2-ol has a molecular weight of 336.39 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-1-methylindol-2-ol is sourced from PubChem (CID 135470258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).