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

C32H29NO4 — CID 66606569

IUPAC6-methoxy-7-(4-phenylphenyl)-1-[(3,4,5-trimethoxyphenyl)methyl]isoquinoline
SMILESCOc1cc2ccnc(Cc3cc(OC)c(OC)c(OC)c3)c2cc1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C32H29NO4/c1-34-29-19-25-14-15-33-28(16-21-17-30(35-2)32(37-4)31(18-21)36-3)26(25)20-27(29)24-12-10-23(11-13-24)22-8-6-5-7-9-22/h5-15,17-20H,16H2,1-4H3
InChIKeyOMTAYZUXEQEPNO-UHFFFAOYSA-N
MW491.59 g/mol
LogP7.19
Rot. Bonds8

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

6-methoxy-7-(4-phenylphenyl)-1-[(3,4,5-trimethoxyphenyl)methyl]isoquinoline (PubChem CID 66606569) has the molecular formula C32H29NO4 and a molecular weight of 491.59 g/mol. Its IUPAC name is 6-methoxy-7-(4-phenylphenyl)-1-[(3,4,5-trimethoxyphenyl)methyl]isoquinoline.

Molecular Properties

Compound Name6-methoxy-7-(4-phenylphenyl)-1-[(3,4,5-trimethoxyphenyl)methyl]isoquinoline
PubChem CID66606569
Molecular FormulaC32H29NO4
Molecular Weight491.59 g/mol
Exact Mass491.21
IUPAC Name6-methoxy-7-(4-phenylphenyl)-1-[(3,4,5-trimethoxyphenyl)methyl]isoquinoline
SMILESCOc1cc2ccnc(Cc3cc(OC)c(OC)c(OC)c3)c2cc1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C32H29NO4/c1-34-29-19-25-14-15-33-28(16-21-17-30(35-2)32(37-4)31(18-21)36-3)26(25)20-27(29)24-12-10-23(11-13-24)22-8-6-5-7-9-22/h5-15,17-20H,16H2,1-4H3
InChIKeyOMTAYZUXEQEPNO-UHFFFAOYSA-N
XLogP7.19
TPSA49.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.59
LogP ≤ 57.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-methoxy-1-[(3-methoxy-4,5-dimethylphenyl)methyl]-7-(4-phenylphenyl)isoquinoline
CID 66602778
4-(isoquinolin-1-ylmethyl)-2,6-dimethoxyphenol
CID 101394802
1-[(3,4-dimethoxyphenyl)methyl]-5,6-dimethoxy-7-[4-(4-methylphenyl)phenyl]isoquinoline
CID 123783015
2-benzyl-3,4-dimethoxypyridine
CID 141149610
1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinolin-8-ol
CID 174897371
1-[(3,4-dimethylphenyl)methyl]-6,7-dimethoxyisoquinoline
CID 153397750
2-benzyl-5,6,7-trimethoxy-3-phenylquinoline
CID 155930832
1-(6,7-dimethoxyisoquinolin-1-yl)-N-methylmethanamine
CID 116995176
4-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-2-methoxybenzaldehyde
CID 135290952
1-[(3,5-dimethoxyphenyl)methyl]isoquinoline
CID 13463308
2-methoxy-3-[(3,4,5-trimethoxyphenyl)methyl]quinoxaline
CID 141466082
6,7-dimethoxy-1-[(3-propan-2-yloxyphenyl)methyl]isoquinoline
CID 150556575

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-7-(4-phenylphenyl)-1-[(3,4,5-trimethoxyphenyl)methyl]isoquinoline?
The IUPAC name of 6-methoxy-7-(4-phenylphenyl)-1-[(3,4,5-trimethoxyphenyl)methyl]isoquinoline (CID 66606569) is 6-methoxy-7-(4-phenylphenyl)-1-[(3,4,5-trimethoxyphenyl)methyl]isoquinoline.
What is the SMILES notation for 6-methoxy-7-(4-phenylphenyl)-1-[(3,4,5-trimethoxyphenyl)methyl]isoquinoline?
The canonical SMILES for 6-methoxy-7-(4-phenylphenyl)-1-[(3,4,5-trimethoxyphenyl)methyl]isoquinoline is COc1cc2ccnc(Cc3cc(OC)c(OC)c(OC)c3)c2cc1-c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 6-methoxy-7-(4-phenylphenyl)-1-[(3,4,5-trimethoxyphenyl)methyl]isoquinoline?
The InChIKey is OMTAYZUXEQEPNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29NO4/c1-34-29-19-25-14-15-33-28(16-21-17-30(35-2)32(37-4)31(18-21)36-3)26(25)20-27(29)24-12-10-23(11-13-24)22-8-6-5-7-9-22/h5-15,17-20H,16H2,1-4H3.
What are the key properties of 6-methoxy-7-(4-phenylphenyl)-1-[(3,4,5-trimethoxyphenyl)methyl]isoquinoline?
6-methoxy-7-(4-phenylphenyl)-1-[(3,4,5-trimethoxyphenyl)methyl]isoquinoline has a molecular weight of 491.59 g/mol, XLogP of 7.19, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-7-(4-phenylphenyl)-1-[(3,4,5-trimethoxyphenyl)methyl]isoquinoline is sourced from PubChem (CID 66606569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).