6,7-dimethoxy-1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3,4-dihydroisoquinoline

C26H27NO4 — CID 1023763

IUPAC6,7-dimethoxy-1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3,4-dihydroisoquinoline
SMILESCOc1cc2c(cc1OC)C(Cc1ccc(OCc3ccccc3)c(OC)c1)=NCC2
InChIInChI=1S/C26H27NO4/c1-28-24-14-19(9-10-23(24)31-17-18-7-5-4-6-8-18)13-22-21-16-26(30-3)25(29-2)15-20(21)11-12-27-22/h4-10,14-16H,11-13,17H2,1-3H3
InChIKeyYPDPXLXQZBEHOG-UHFFFAOYSA-N
MW417.51 g/mol
LogP4.88
Rot. Bonds8

About 6,7-dimethoxy-1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3,4-dihydroisoquinoline

6,7-dimethoxy-1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3,4-dihydroisoquinoline (PubChem CID 1023763) has the molecular formula C26H27NO4 and a molecular weight of 417.51 g/mol. Its IUPAC name is 6,7-dimethoxy-1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3,4-dihydroisoquinoline.

Molecular Properties

Compound Name6,7-dimethoxy-1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3,4-dihydroisoquinoline
PubChem CID1023763
Molecular FormulaC26H27NO4
Molecular Weight417.51 g/mol
Exact Mass417.19
IUPAC Name6,7-dimethoxy-1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3,4-dihydroisoquinoline
SMILESCOc1cc2c(cc1OC)C(Cc1ccc(OCc3ccccc3)c(OC)c1)=NCC2
InChIInChI=1S/C26H27NO4/c1-28-24-14-19(9-10-23(24)31-17-18-7-5-4-6-8-18)13-22-21-16-26(30-3)25(29-2)15-20(21)11-12-27-22/h4-10,14-16H,11-13,17H2,1-3H3
InChIKeyYPDPXLXQZBEHOG-UHFFFAOYSA-N
XLogP4.88
TPSA49.28 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3,4-dihydroisoquinoline?
The IUPAC name of 6,7-dimethoxy-1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3,4-dihydroisoquinoline (CID 1023763) is 6,7-dimethoxy-1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3,4-dihydroisoquinoline.
What is the SMILES notation for 6,7-dimethoxy-1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3,4-dihydroisoquinoline?
The canonical SMILES for 6,7-dimethoxy-1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3,4-dihydroisoquinoline is COc1cc2c(cc1OC)C(Cc1ccc(OCc3ccccc3)c(OC)c1)=NCC2.
What is the InChIKey of 6,7-dimethoxy-1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3,4-dihydroisoquinoline?
The InChIKey is YPDPXLXQZBEHOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27NO4/c1-28-24-14-19(9-10-23(24)31-17-18-7-5-4-6-8-18)13-22-21-16-26(30-3)25(29-2)15-20(21)11-12-27-22/h4-10,14-16H,11-13,17H2,1-3H3.
What are the key properties of 6,7-dimethoxy-1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3,4-dihydroisoquinoline?
6,7-dimethoxy-1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3,4-dihydroisoquinoline has a molecular weight of 417.51 g/mol, XLogP of 4.88, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3,4-dihydroisoquinoline is sourced from PubChem (CID 1023763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).