1-[(3,4-dimethylphenyl)methyl]-6,7-dimethoxyisoquinoline

C20H21NO2 — CID 153397750

IUPAC1-[(3,4-dimethylphenyl)methyl]-6,7-dimethoxyisoquinoline
SMILESCOc1cc2ccnc(Cc3ccc(C)c(C)c3)c2cc1OC
InChIInChI=1S/C20H21NO2/c1-13-5-6-15(9-14(13)2)10-18-17-12-20(23-4)19(22-3)11-16(17)7-8-21-18/h5-9,11-12H,10H2,1-4H3
InChIKeyIIWAZLJRPRFVFS-UHFFFAOYSA-N
MW307.39 g/mol
LogP4.46
Rot. Bonds4

About 1-[(3,4-dimethylphenyl)methyl]-6,7-dimethoxyisoquinoline

1-[(3,4-dimethylphenyl)methyl]-6,7-dimethoxyisoquinoline (PubChem CID 153397750) has the molecular formula C20H21NO2 and a molecular weight of 307.39 g/mol. Its IUPAC name is 1-[(3,4-dimethylphenyl)methyl]-6,7-dimethoxyisoquinoline.

Molecular Properties

Compound Name1-[(3,4-dimethylphenyl)methyl]-6,7-dimethoxyisoquinoline
PubChem CID153397750
Molecular FormulaC20H21NO2
Molecular Weight307.39 g/mol
Exact Mass307.16
IUPAC Name1-[(3,4-dimethylphenyl)methyl]-6,7-dimethoxyisoquinoline
SMILESCOc1cc2ccnc(Cc3ccc(C)c(C)c3)c2cc1OC
InChIInChI=1S/C20H21NO2/c1-13-5-6-15(9-14(13)2)10-18-17-12-20(23-4)19(22-3)11-16(17)7-8-21-18/h5-9,11-12H,10H2,1-4H3
InChIKeyIIWAZLJRPRFVFS-UHFFFAOYSA-N
XLogP4.46
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(3,4-dimethylphenyl)methyl]-6,7-dimethoxyisoquinoline 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-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-2-methoxybenzaldehyde
CID 135290952
1-(6,7-dimethoxyisoquinolin-1-yl)-N-methylmethanamine
CID 116995176
6,7-dimethoxy-1-[(3-propan-2-yloxyphenyl)methyl]isoquinoline
CID 150556575
1-[[3-(2-fluoroethoxy)-4-methoxyphenyl]methyl]-6,7-dimethoxyisoquinoline;oxalic acid
CID 54576314
2-(6,7-dimethoxyisoquinolin-1-yl)ethanol
CID 116995192
6-methoxy-1-[(3-methoxy-4,5-dimethylphenyl)methyl]-7-(4-phenylphenyl)isoquinoline
CID 66602778
1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinolin-8-ol
CID 174897371
6,7-dimethoxy-1-methylisoquinoline
CID 20725
1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline;5-ethyl-3,5-dimethyl-1,3-oxazolidine-2,4-dione;hydrochloride
CID 69459631
6-methoxy-7-(4-phenylphenyl)-1-[(3,4,5-trimethoxyphenyl)methyl]isoquinoline
CID 66606569
tert-butyl N-[(6,7-dimethoxyisoquinolin-1-yl)methyl]carbamate
CID 141101320
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

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dimethylphenyl)methyl]-6,7-dimethoxyisoquinoline?
The IUPAC name of 1-[(3,4-dimethylphenyl)methyl]-6,7-dimethoxyisoquinoline (CID 153397750) is 1-[(3,4-dimethylphenyl)methyl]-6,7-dimethoxyisoquinoline.
What is the SMILES notation for 1-[(3,4-dimethylphenyl)methyl]-6,7-dimethoxyisoquinoline?
The canonical SMILES for 1-[(3,4-dimethylphenyl)methyl]-6,7-dimethoxyisoquinoline is COc1cc2ccnc(Cc3ccc(C)c(C)c3)c2cc1OC.
What is the InChIKey of 1-[(3,4-dimethylphenyl)methyl]-6,7-dimethoxyisoquinoline?
The InChIKey is IIWAZLJRPRFVFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO2/c1-13-5-6-15(9-14(13)2)10-18-17-12-20(23-4)19(22-3)11-16(17)7-8-21-18/h5-9,11-12H,10H2,1-4H3.
What are the key properties of 1-[(3,4-dimethylphenyl)methyl]-6,7-dimethoxyisoquinoline?
1-[(3,4-dimethylphenyl)methyl]-6,7-dimethoxyisoquinoline has a molecular weight of 307.39 g/mol, XLogP of 4.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dimethylphenyl)methyl]-6,7-dimethoxyisoquinoline is sourced from PubChem (CID 153397750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).