1-(3,4-dimethoxyphenyl)-3-ethoxy-8-methylisoquinoline

C20H21NO3 — CID 134913222

IUPAC1-(3,4-dimethoxyphenyl)-3-ethoxy-8-methylisoquinoline
SMILESCCOc1cc2cccc(C)c2c(-c2ccc(OC)c(OC)c2)n1
InChIInChI=1S/C20H21NO3/c1-5-24-18-12-14-8-6-7-13(2)19(14)20(21-18)15-9-10-16(22-3)17(11-15)23-4/h6-12H,5H2,1-4H3
InChIKeyPVTDUIKJCXIPAQ-UHFFFAOYSA-N
MW323.39 g/mol
LogP4.63
Rot. Bonds5

About 1-(3,4-dimethoxyphenyl)-3-ethoxy-8-methylisoquinoline

1-(3,4-dimethoxyphenyl)-3-ethoxy-8-methylisoquinoline (PubChem CID 134913222) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-3-ethoxy-8-methylisoquinoline.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-3-ethoxy-8-methylisoquinoline
PubChem CID134913222
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC Name1-(3,4-dimethoxyphenyl)-3-ethoxy-8-methylisoquinoline
SMILESCCOc1cc2cccc(C)c2c(-c2ccc(OC)c(OC)c2)n1
InChIInChI=1S/C20H21NO3/c1-5-24-18-12-14-8-6-7-13(2)19(14)20(21-18)15-9-10-16(22-3)17(11-15)23-4/h6-12H,5H2,1-4H3
InChIKeyPVTDUIKJCXIPAQ-UHFFFAOYSA-N
XLogP4.63
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4,5,10,11,16,17-hexakis(3,4-dimethoxyphenyl)-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1,3,5,7,9,11,13,15,17-nonaene
CID 101071642
2-ethoxy-8-methoxy-4-methylquinoline
CID 70328444
[2-(3-ethoxy-4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methanethiol
CID 82427206
[2-(4-ethoxy-3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]methanethiol
CID 82427187
2-ethyl-3-methoxy-8-methylnaphthalen-1-ol
CID 14616022
4-(3,4-dimethoxyphenyl)-2-methyl-5-phenyl-1,3-thiazole
CID 70800600
[2-(4-ethoxy-3-methoxyphenyl)-5-methyl-1,3-thiazol-4-yl]methanol
CID 117098981
2,5-bis(4-ethoxy-3-methoxyphenyl)-3,4-dimethylfuran
CID 11069311
[2-(3,4-dimethoxyphenyl)-3-pyridinyl]methanol
CID 54102100
2-(3,4-dimethoxyphenyl)naphthalene
CID 10890732
2-[2-(4-ethoxy-3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]propan-2-ol
CID 82427189
4-(3,4-dimethoxyphenyl)-5-methyl-2-(2-phenylethyl)-1,3-thiazole
CID 52794423

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-3-ethoxy-8-methylisoquinoline?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-3-ethoxy-8-methylisoquinoline (CID 134913222) is 1-(3,4-dimethoxyphenyl)-3-ethoxy-8-methylisoquinoline.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-3-ethoxy-8-methylisoquinoline?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-3-ethoxy-8-methylisoquinoline is CCOc1cc2cccc(C)c2c(-c2ccc(OC)c(OC)c2)n1.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-3-ethoxy-8-methylisoquinoline?
The InChIKey is PVTDUIKJCXIPAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3/c1-5-24-18-12-14-8-6-7-13(2)19(14)20(21-18)15-9-10-16(22-3)17(11-15)23-4/h6-12H,5H2,1-4H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-3-ethoxy-8-methylisoquinoline?
1-(3,4-dimethoxyphenyl)-3-ethoxy-8-methylisoquinoline has a molecular weight of 323.39 g/mol, XLogP of 4.63, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-3-ethoxy-8-methylisoquinoline is sourced from PubChem (CID 134913222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).