(1R)-6,7-dimethoxy-1-[[6-[2-methoxy-4-[[(1R)-6-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]phenoxy]-3-pyridinyl]methyl]-1,2,3,4-tetrahydroisoquinoline

C35H39N3O4 — CID 161092913

IUPAC(1R)-6,7-dimethoxy-1-[[6-[2-methoxy-4-[[(1R)-6-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]phenoxy]-3-pyridinyl]methyl]-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1cc2c(cc1OC)[C@@H](Cc1ccc(Oc3ccc(C[C@H]4NCCc5cc(C)ccc54)cc3OC)nc1)NCC2
InChIInChI=1S/C35H39N3O4/c1-22-5-8-27-25(15-22)11-13-36-29(27)16-23-6-9-31(32(18-23)39-2)42-35-10-7-24(21-38-35)17-30-28-20-34(41-4)33(40-3)19-26(28)12-14-37-30/h5-10,15,18-21,29-30,36-37H,11-14,16-17H2,1-4H3/t29-,30-/m1/s1
InChIKeyUHKMFSNHMCKQMY-LOYHVIPDSA-N
MW565.71 g/mol
LogP6.07
Rot. Bonds9

About (1R)-6,7-dimethoxy-1-[[6-[2-methoxy-4-[[(1R)-6-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]phenoxy]-3-pyridinyl]methyl]-1,2,3,4-tetrahydroisoquinoline

(1R)-6,7-dimethoxy-1-[[6-[2-methoxy-4-[[(1R)-6-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]phenoxy]-3-pyridinyl]methyl]-1,2,3,4-tetrahydroisoquinoline (PubChem CID 161092913) has the molecular formula C35H39N3O4 and a molecular weight of 565.71 g/mol. Its IUPAC name is (1R)-6,7-dimethoxy-1-[[6-[2-methoxy-4-[[(1R)-6-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]phenoxy]-3-pyridinyl]methyl]-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name(1R)-6,7-dimethoxy-1-[[6-[2-methoxy-4-[[(1R)-6-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]phenoxy]-3-pyridinyl]methyl]-1,2,3,4-tetrahydroisoquinoline
PubChem CID161092913
Molecular FormulaC35H39N3O4
Molecular Weight565.71 g/mol
Exact Mass565.29
IUPAC Name(1R)-6,7-dimethoxy-1-[[6-[2-methoxy-4-[[(1R)-6-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]phenoxy]-3-pyridinyl]methyl]-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1cc2c(cc1OC)[C@@H](Cc1ccc(Oc3ccc(C[C@H]4NCCc5cc(C)ccc54)cc3OC)nc1)NCC2
InChIInChI=1S/C35H39N3O4/c1-22-5-8-27-25(15-22)11-13-36-29(27)16-23-6-9-31(32(18-23)39-2)42-35-10-7-24(21-38-35)17-30-28-20-34(41-4)33(40-3)19-26(28)12-14-37-30/h5-10,15,18-21,29-30,36-37H,11-14,16-17H2,1-4H3/t29-,30-/m1/s1
InChIKeyUHKMFSNHMCKQMY-LOYHVIPDSA-N
XLogP6.07
TPSA73.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.71
LogP ≤ 56.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (1R)-6,7-dimethoxy-1-[[6-[2-methoxy-4-[[(1R)-6-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]phenoxy]-3-pyridinyl]methyl]-1,2,3,4-tetrahydroisoquinoline with MolForge

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Launch Full Analysis

Related Compounds

(1R)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 688594
5-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]-2-methoxyphenol;hydrochloride
CID 2752280
(1S)-6,7-dimethoxy-1-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 10969027
6,7-dimethoxy-1-[(3-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 22643314
(1R)-1-benzyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 7157325
1-[2-(3,4-dimethoxyphenyl)ethyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 12934313
1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxy-1,2,3,4-tetrahydroisoquinoline
CID 3013964
7-ethoxy-6-methoxy-1-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 166067832
4-[[(1R)-6-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]phenol
CID 96995480
4-[[(1S)-7-ethoxy-6-methoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]phenol
CID 95988928
6-[(3,4-dimethoxyphenyl)methyl]-2,3,6,7,8,9-hexahydro-[1,4]dioxino[2,3-g]isoquinoline
CID 22643361
(1R)-1-[[2-[2-[2-[[(1R)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]-4,5-dimethoxyphenyl]ethyl]-4,5-dimethoxyphenyl]methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 102030471

Frequently Asked Questions

What is the IUPAC name of (1R)-6,7-dimethoxy-1-[[6-[2-methoxy-4-[[(1R)-6-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]phenoxy]-3-pyridinyl]methyl]-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of (1R)-6,7-dimethoxy-1-[[6-[2-methoxy-4-[[(1R)-6-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]phenoxy]-3-pyridinyl]methyl]-1,2,3,4-tetrahydroisoquinoline (CID 161092913) is (1R)-6,7-dimethoxy-1-[[6-[2-methoxy-4-[[(1R)-6-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]phenoxy]-3-pyridinyl]methyl]-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for (1R)-6,7-dimethoxy-1-[[6-[2-methoxy-4-[[(1R)-6-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]phenoxy]-3-pyridinyl]methyl]-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for (1R)-6,7-dimethoxy-1-[[6-[2-methoxy-4-[[(1R)-6-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]phenoxy]-3-pyridinyl]methyl]-1,2,3,4-tetrahydroisoquinoline is COc1cc2c(cc1OC)[C@@H](Cc1ccc(Oc3ccc(C[C@H]4NCCc5cc(C)ccc54)cc3OC)nc1)NCC2.
What is the InChIKey of (1R)-6,7-dimethoxy-1-[[6-[2-methoxy-4-[[(1R)-6-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]phenoxy]-3-pyridinyl]methyl]-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is UHKMFSNHMCKQMY-LOYHVIPDSA-N. The full InChI is InChI=1S/C35H39N3O4/c1-22-5-8-27-25(15-22)11-13-36-29(27)16-23-6-9-31(32(18-23)39-2)42-35-10-7-24(21-38-35)17-30-28-20-34(41-4)33(40-3)19-26(28)12-14-37-30/h5-10,15,18-21,29-30,36-37H,11-14,16-17H2,1-4H3/t29-,30-/m1/s1.
What are the key properties of (1R)-6,7-dimethoxy-1-[[6-[2-methoxy-4-[[(1R)-6-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]phenoxy]-3-pyridinyl]methyl]-1,2,3,4-tetrahydroisoquinoline?
(1R)-6,7-dimethoxy-1-[[6-[2-methoxy-4-[[(1R)-6-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]phenoxy]-3-pyridinyl]methyl]-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 565.71 g/mol, XLogP of 6.07, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-6,7-dimethoxy-1-[[6-[2-methoxy-4-[[(1R)-6-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]phenoxy]-3-pyridinyl]methyl]-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 161092913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).