6,7-dimethoxy-1-(4-methoxyphenyl)-3,3-dimethyl-4H-isoquinoline

C20H23NO3 — CID 22332367

IUPAC6,7-dimethoxy-1-(4-methoxyphenyl)-3,3-dimethyl-4H-isoquinoline
SMILESCOc1ccc(C2=NC(C)(C)Cc3cc(OC)c(OC)cc32)cc1
InChIInChI=1S/C20H23NO3/c1-20(2)12-14-10-17(23-4)18(24-5)11-16(14)19(21-20)13-6-8-15(22-3)9-7-13/h6-11H,12H2,1-5H3
InChIKeyWUKWOKSSNVIDGI-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.88
Rot. Bonds4

About 6,7-dimethoxy-1-(4-methoxyphenyl)-3,3-dimethyl-4H-isoquinoline

6,7-dimethoxy-1-(4-methoxyphenyl)-3,3-dimethyl-4H-isoquinoline (PubChem CID 22332367) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is 6,7-dimethoxy-1-(4-methoxyphenyl)-3,3-dimethyl-4H-isoquinoline.

Molecular Properties

Compound Name6,7-dimethoxy-1-(4-methoxyphenyl)-3,3-dimethyl-4H-isoquinoline
PubChem CID22332367
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name6,7-dimethoxy-1-(4-methoxyphenyl)-3,3-dimethyl-4H-isoquinoline
SMILESCOc1ccc(C2=NC(C)(C)Cc3cc(OC)c(OC)cc32)cc1
InChIInChI=1S/C20H23NO3/c1-20(2)12-14-10-17(23-4)18(24-5)11-16(14)19(21-20)13-6-8-15(22-3)9-7-13/h6-11H,12H2,1-5H3
InChIKeyWUKWOKSSNVIDGI-UHFFFAOYSA-N
XLogP3.88
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6,7-dimethoxy-1-(4-methoxyphenyl)-3,3-dimethyl-4H-isoquinoline with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-1-(4-methoxyphenyl)-3,3-dimethyl-4H-isoquinoline?
The IUPAC name of 6,7-dimethoxy-1-(4-methoxyphenyl)-3,3-dimethyl-4H-isoquinoline (CID 22332367) is 6,7-dimethoxy-1-(4-methoxyphenyl)-3,3-dimethyl-4H-isoquinoline.
What is the SMILES notation for 6,7-dimethoxy-1-(4-methoxyphenyl)-3,3-dimethyl-4H-isoquinoline?
The canonical SMILES for 6,7-dimethoxy-1-(4-methoxyphenyl)-3,3-dimethyl-4H-isoquinoline is COc1ccc(C2=NC(C)(C)Cc3cc(OC)c(OC)cc32)cc1.
What is the InChIKey of 6,7-dimethoxy-1-(4-methoxyphenyl)-3,3-dimethyl-4H-isoquinoline?
The InChIKey is WUKWOKSSNVIDGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-20(2)12-14-10-17(23-4)18(24-5)11-16(14)19(21-20)13-6-8-15(22-3)9-7-13/h6-11H,12H2,1-5H3.
What are the key properties of 6,7-dimethoxy-1-(4-methoxyphenyl)-3,3-dimethyl-4H-isoquinoline?
6,7-dimethoxy-1-(4-methoxyphenyl)-3,3-dimethyl-4H-isoquinoline has a molecular weight of 325.41 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-1-(4-methoxyphenyl)-3,3-dimethyl-4H-isoquinoline is sourced from PubChem (CID 22332367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).