3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-1-methyl-4-phenylisoquinoline

C26H25NO4 — CID 11418585

IUPAC3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-1-methyl-4-phenylisoquinoline
SMILESCOc1ccc(-c2nc(C)c3cc(OC)c(OC)cc3c2-c2ccccc2)cc1OC
InChIInChI=1S/C26H25NO4/c1-16-19-14-23(30-4)24(31-5)15-20(19)25(17-9-7-6-8-10-17)26(27-16)18-11-12-21(28-2)22(13-18)29-3/h6-15H,1-5H3
InChIKeyWFZIMKFCBIWRLO-UHFFFAOYSA-N
MW415.49 g/mol
LogP5.91
Rot. Bonds6

About 3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-1-methyl-4-phenylisoquinoline

3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-1-methyl-4-phenylisoquinoline (PubChem CID 11418585) has the molecular formula C26H25NO4 and a molecular weight of 415.49 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-1-methyl-4-phenylisoquinoline.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-1-methyl-4-phenylisoquinoline
PubChem CID11418585
Molecular FormulaC26H25NO4
Molecular Weight415.49 g/mol
Exact Mass415.18
IUPAC Name3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-1-methyl-4-phenylisoquinoline
SMILESCOc1ccc(-c2nc(C)c3cc(OC)c(OC)cc3c2-c2ccccc2)cc1OC
InChIInChI=1S/C26H25NO4/c1-16-19-14-23(30-4)24(31-5)15-20(19)25(17-9-7-6-8-10-17)26(27-16)18-11-12-21(28-2)22(13-18)29-3/h6-15H,1-5H3
InChIKeyWFZIMKFCBIWRLO-UHFFFAOYSA-N
XLogP5.91
TPSA49.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.49
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3,4-dimethoxyphenyl)-2-methyl-5-phenyl-1,3-thiazole
CID 70800600
5-(3,4-dimethoxyphenyl)-7,8-dimethoxy-1-phenyl-2H-pyrazolo[3,4-c]isoquinoline
CID 1023805
8,9-dimethoxy-6-methylphenanthridine
CID 135040288
7,8-dimethoxy-5-methyl-1-phenyl-[1,2]oxazolo[5,4-c]isoquinoline
CID 878649
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
3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-N,N-dimethyl-5-phenylisoquinolin-1-amine
CID 54759824
2-(3,4-dimethoxyphenyl)-4-phenyl-1,3-thiazole
CID 1147052
1-(2-methoxyphenyl)-3,4-diphenylisoquinoline
CID 102102468
2,3-dimethoxy-9,10-diphenylphenanthrene
CID 86084534
N-[[4-(3,4-dimethoxyphenyl)-6,7-dimethoxyquinazolin-2-yl]methyl]-N-phenylaniline
CID 67716628
2-(3,4-dimethoxyphenyl)-5,6-dimethyl-3-phenyl-1-benzofuran
CID 11428312
4-(3,4-dimethoxyphenyl)-5-phenyl-1,3-oxazole
CID 21408543

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-1-methyl-4-phenylisoquinoline?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-1-methyl-4-phenylisoquinoline (CID 11418585) is 3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-1-methyl-4-phenylisoquinoline.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-1-methyl-4-phenylisoquinoline?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-1-methyl-4-phenylisoquinoline is COc1ccc(-c2nc(C)c3cc(OC)c(OC)cc3c2-c2ccccc2)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-1-methyl-4-phenylisoquinoline?
The InChIKey is WFZIMKFCBIWRLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25NO4/c1-16-19-14-23(30-4)24(31-5)15-20(19)25(17-9-7-6-8-10-17)26(27-16)18-11-12-21(28-2)22(13-18)29-3/h6-15H,1-5H3.
What are the key properties of 3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-1-methyl-4-phenylisoquinoline?
3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-1-methyl-4-phenylisoquinoline has a molecular weight of 415.49 g/mol, XLogP of 5.91, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-1-methyl-4-phenylisoquinoline is sourced from PubChem (CID 11418585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).