6-methoxy-1-[(3-methoxy-4,5-dimethylphenyl)methyl]-7-(4-phenylphenyl)isoquinoline

C32H29NO2 — CID 66602778

IUPAC6-methoxy-1-[(3-methoxy-4,5-dimethylphenyl)methyl]-7-(4-phenylphenyl)isoquinoline
SMILESCOc1cc2ccnc(Cc3cc(C)c(C)c(OC)c3)c2cc1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C32H29NO2/c1-21-16-23(18-31(34-3)22(21)2)17-30-28-20-29(32(35-4)19-27(28)14-15-33-30)26-12-10-25(11-13-26)24-8-6-5-7-9-24/h5-16,18-20H,17H2,1-4H3
InChIKeyLLDLZADHSNCNOH-UHFFFAOYSA-N
MW459.59 g/mol
LogP7.79
Rot. Bonds6

About 6-methoxy-1-[(3-methoxy-4,5-dimethylphenyl)methyl]-7-(4-phenylphenyl)isoquinoline

6-methoxy-1-[(3-methoxy-4,5-dimethylphenyl)methyl]-7-(4-phenylphenyl)isoquinoline (PubChem CID 66602778) has the molecular formula C32H29NO2 and a molecular weight of 459.59 g/mol. Its IUPAC name is 6-methoxy-1-[(3-methoxy-4,5-dimethylphenyl)methyl]-7-(4-phenylphenyl)isoquinoline.

Molecular Properties

Compound Name6-methoxy-1-[(3-methoxy-4,5-dimethylphenyl)methyl]-7-(4-phenylphenyl)isoquinoline
PubChem CID66602778
Molecular FormulaC32H29NO2
Molecular Weight459.59 g/mol
Exact Mass459.22
IUPAC Name6-methoxy-1-[(3-methoxy-4,5-dimethylphenyl)methyl]-7-(4-phenylphenyl)isoquinoline
SMILESCOc1cc2ccnc(Cc3cc(C)c(C)c(OC)c3)c2cc1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C32H29NO2/c1-21-16-23(18-31(34-3)22(21)2)17-30-28-20-29(32(35-4)19-27(28)14-15-33-30)26-12-10-25(11-13-26)24-8-6-5-7-9-24/h5-16,18-20H,17H2,1-4H3
InChIKeyLLDLZADHSNCNOH-UHFFFAOYSA-N
XLogP7.79
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.59
LogP ≤ 57.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-methoxy-1-[(3-methoxy-4,5-dimethylphenyl)methyl]-7-(4-phenylphenyl)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-methoxy-1-[(3-methoxy-4,5-dimethylphenyl)methyl]-7-(4-phenylphenyl)isoquinoline?
The IUPAC name of 6-methoxy-1-[(3-methoxy-4,5-dimethylphenyl)methyl]-7-(4-phenylphenyl)isoquinoline (CID 66602778) is 6-methoxy-1-[(3-methoxy-4,5-dimethylphenyl)methyl]-7-(4-phenylphenyl)isoquinoline.
What is the SMILES notation for 6-methoxy-1-[(3-methoxy-4,5-dimethylphenyl)methyl]-7-(4-phenylphenyl)isoquinoline?
The canonical SMILES for 6-methoxy-1-[(3-methoxy-4,5-dimethylphenyl)methyl]-7-(4-phenylphenyl)isoquinoline is COc1cc2ccnc(Cc3cc(C)c(C)c(OC)c3)c2cc1-c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 6-methoxy-1-[(3-methoxy-4,5-dimethylphenyl)methyl]-7-(4-phenylphenyl)isoquinoline?
The InChIKey is LLDLZADHSNCNOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29NO2/c1-21-16-23(18-31(34-3)22(21)2)17-30-28-20-29(32(35-4)19-27(28)14-15-33-30)26-12-10-25(11-13-26)24-8-6-5-7-9-24/h5-16,18-20H,17H2,1-4H3.
What are the key properties of 6-methoxy-1-[(3-methoxy-4,5-dimethylphenyl)methyl]-7-(4-phenylphenyl)isoquinoline?
6-methoxy-1-[(3-methoxy-4,5-dimethylphenyl)methyl]-7-(4-phenylphenyl)isoquinoline has a molecular weight of 459.59 g/mol, XLogP of 7.79, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1-[(3-methoxy-4,5-dimethylphenyl)methyl]-7-(4-phenylphenyl)isoquinoline is sourced from PubChem (CID 66602778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).