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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Related Compounds

Papaverine
CID 4680
Papaverine Hydrochloride
CID 6084
Ethaverine
CID 3280
Ethaverine Hydrochloride
CID 5702159
Palmatine
CID 19009
Moxaverine
CID 70882
Columbamine
CID 72310
Palmatine Chloride
CID 73442
Coralyne chloride
CID 23306
Jatrorrhizine
CID 72323
Berberrubine
CID 72704
Octaverine
CID 68363

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).