1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinolin-8-ol

C20H21NO5 — CID 174897371

IUPAC1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinolin-8-ol
SMILESCOc1ccc(Cc2nccc3cc(OC)c(OC)c(O)c23)cc1OC
InChIInChI=1S/C20H21NO5/c1-23-15-6-5-12(10-16(15)24-2)9-14-18-13(7-8-21-14)11-17(25-3)20(26-4)19(18)22/h5-8,10-11,22H,9H2,1-4H3
InChIKeySDXJSBFZRLDWAX-UHFFFAOYSA-N
MW355.39 g/mol
LogP3.57
Rot. Bonds6

About 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinolin-8-ol

1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinolin-8-ol (PubChem CID 174897371) has the molecular formula C20H21NO5 and a molecular weight of 355.39 g/mol. Its IUPAC name is 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinolin-8-ol.

Molecular Properties

Compound Name1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinolin-8-ol
PubChem CID174897371
Molecular FormulaC20H21NO5
Molecular Weight355.39 g/mol
Exact Mass355.14
IUPAC Name1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinolin-8-ol
SMILESCOc1ccc(Cc2nccc3cc(OC)c(OC)c(O)c23)cc1OC
InChIInChI=1S/C20H21NO5/c1-23-15-6-5-12(10-16(15)24-2)9-14-18-13(7-8-21-14)11-17(25-3)20(26-4)19(18)22/h5-8,10-11,22H,9H2,1-4H3
InChIKeySDXJSBFZRLDWAX-UHFFFAOYSA-N
XLogP3.57
TPSA70.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinolin-8-ol with MolForge

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

Launch Full Analysis

Related Compounds

4-(isoquinolin-1-ylmethyl)-2,6-dimethoxyphenol
CID 101394802
1-[(3,4-dimethylphenyl)methyl]-6,7-dimethoxyisoquinoline
CID 153397750
1-[[3-(2-fluoroethoxy)-4-methoxyphenyl]methyl]-6,7-dimethoxyisoquinoline;oxalic acid
CID 54576314
7,8-dimethoxy-1-(naphthalen-2-ylmethyl)isoquinoline
CID 11995264
4-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-2-methoxybenzaldehyde
CID 135290952
1-(6,7-dimethoxyisoquinolin-1-yl)-N-methylmethanamine
CID 116995176
6-methoxy-7-(4-phenylphenyl)-1-[(3,4,5-trimethoxyphenyl)methyl]isoquinoline
CID 66606569
6,7,8-trimethoxy-1-[3-(6,7,8-trimethoxyisoquinolin-1-yl)propyl]isoquinoline;hydrochloride
CID 140534708
1-[(3,4-dimethoxyphenyl)methyl]-5,6-dimethoxy-7-[4-(4-methylphenyl)phenyl]isoquinoline
CID 123783015
methyl (2S,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-[1-[(3,4-dimethoxyphenyl)methyl]-7-methoxyisoquinolin-6-yl]oxyoxane-2-carboxylate
CID 71315397
2-(6,7-dimethoxyisoquinolin-1-yl)ethanol
CID 116995192
[3-[(3,4-dimethoxyphenyl)methyl]-2-pyridinyl]methanol
CID 54192940

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinolin-8-ol?
The IUPAC name of 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinolin-8-ol (CID 174897371) is 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinolin-8-ol.
What is the SMILES notation for 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinolin-8-ol?
The canonical SMILES for 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinolin-8-ol is COc1ccc(Cc2nccc3cc(OC)c(OC)c(O)c23)cc1OC.
What is the InChIKey of 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinolin-8-ol?
The InChIKey is SDXJSBFZRLDWAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO5/c1-23-15-6-5-12(10-16(15)24-2)9-14-18-13(7-8-21-14)11-17(25-3)20(26-4)19(18)22/h5-8,10-11,22H,9H2,1-4H3.
What are the key properties of 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinolin-8-ol?
1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinolin-8-ol has a molecular weight of 355.39 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinolin-8-ol is sourced from PubChem (CID 174897371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).