7-methoxy-1-(3,4,5-trimethoxyphenyl)isoquinolin-6-ol

C19H19NO5 — CID 146562811

IUPAC7-methoxy-1-(3,4,5-trimethoxyphenyl)isoquinolin-6-ol
SMILESCOc1cc2c(-c3cc(OC)c(OC)c(OC)c3)nccc2cc1O
InChIInChI=1S/C19H19NO5/c1-22-15-10-13-11(7-14(15)21)5-6-20-18(13)12-8-16(23-2)19(25-4)17(9-12)24-3/h5-10,21H,1-4H3
InChIKeyDENYXYQGOVGLCA-UHFFFAOYSA-N
MW341.36 g/mol
LogP3.64
Rot. Bonds5

About 7-methoxy-1-(3,4,5-trimethoxyphenyl)isoquinolin-6-ol

7-methoxy-1-(3,4,5-trimethoxyphenyl)isoquinolin-6-ol (PubChem CID 146562811) has the molecular formula C19H19NO5 and a molecular weight of 341.36 g/mol. Its IUPAC name is 7-methoxy-1-(3,4,5-trimethoxyphenyl)isoquinolin-6-ol.

Molecular Properties

Compound Name7-methoxy-1-(3,4,5-trimethoxyphenyl)isoquinolin-6-ol
PubChem CID146562811
Molecular FormulaC19H19NO5
Molecular Weight341.36 g/mol
Exact Mass341.13
IUPAC Name7-methoxy-1-(3,4,5-trimethoxyphenyl)isoquinolin-6-ol
SMILESCOc1cc2c(-c3cc(OC)c(OC)c(OC)c3)nccc2cc1O
InChIInChI=1S/C19H19NO5/c1-22-15-10-13-11(7-14(15)21)5-6-20-18(13)12-8-16(23-2)19(25-4)17(9-12)24-3/h5-10,21H,1-4H3
InChIKeyDENYXYQGOVGLCA-UHFFFAOYSA-N
XLogP3.64
TPSA70.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1-(3,4,5-trimethoxyphenyl)isoquinolin-6-ol?
The IUPAC name of 7-methoxy-1-(3,4,5-trimethoxyphenyl)isoquinolin-6-ol (CID 146562811) is 7-methoxy-1-(3,4,5-trimethoxyphenyl)isoquinolin-6-ol.
What is the SMILES notation for 7-methoxy-1-(3,4,5-trimethoxyphenyl)isoquinolin-6-ol?
The canonical SMILES for 7-methoxy-1-(3,4,5-trimethoxyphenyl)isoquinolin-6-ol is COc1cc2c(-c3cc(OC)c(OC)c(OC)c3)nccc2cc1O.
What is the InChIKey of 7-methoxy-1-(3,4,5-trimethoxyphenyl)isoquinolin-6-ol?
The InChIKey is DENYXYQGOVGLCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO5/c1-22-15-10-13-11(7-14(15)21)5-6-20-18(13)12-8-16(23-2)19(25-4)17(9-12)24-3/h5-10,21H,1-4H3.
What are the key properties of 7-methoxy-1-(3,4,5-trimethoxyphenyl)isoquinolin-6-ol?
7-methoxy-1-(3,4,5-trimethoxyphenyl)isoquinolin-6-ol has a molecular weight of 341.36 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1-(3,4,5-trimethoxyphenyl)isoquinolin-6-ol is sourced from PubChem (CID 146562811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).