5,8-dimethoxy-1-[[4-(4-methoxy-3-pyridinyl)phenyl]methyl]-1,2,3,4-tetrahydroisoquinoline

C24H26N2O3 — CID 85470918

IUPAC5,8-dimethoxy-1-[[4-(4-methoxy-3-pyridinyl)phenyl]methyl]-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1ccncc1-c1ccc(CC2NCCc3c(OC)ccc(OC)c32)cc1
InChIInChI=1S/C24H26N2O3/c1-27-21-8-9-23(29-3)24-18(21)10-13-26-20(24)14-16-4-6-17(7-5-16)19-15-25-12-11-22(19)28-2/h4-9,11-12,15,20,26H,10,13-14H2,1-3H3
InChIKeyUNQBNCOVSAGTCM-UHFFFAOYSA-N
MW390.48 g/mol
LogP4.20
Rot. Bonds6

About 5,8-dimethoxy-1-[[4-(4-methoxy-3-pyridinyl)phenyl]methyl]-1,2,3,4-tetrahydroisoquinoline

5,8-dimethoxy-1-[[4-(4-methoxy-3-pyridinyl)phenyl]methyl]-1,2,3,4-tetrahydroisoquinoline (PubChem CID 85470918) has the molecular formula C24H26N2O3 and a molecular weight of 390.48 g/mol. Its IUPAC name is 5,8-dimethoxy-1-[[4-(4-methoxy-3-pyridinyl)phenyl]methyl]-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name5,8-dimethoxy-1-[[4-(4-methoxy-3-pyridinyl)phenyl]methyl]-1,2,3,4-tetrahydroisoquinoline
PubChem CID85470918
Molecular FormulaC24H26N2O3
Molecular Weight390.48 g/mol
Exact Mass390.19
IUPAC Name5,8-dimethoxy-1-[[4-(4-methoxy-3-pyridinyl)phenyl]methyl]-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1ccncc1-c1ccc(CC2NCCc3c(OC)ccc(OC)c32)cc1
InChIInChI=1S/C24H26N2O3/c1-27-21-8-9-23(29-3)24-18(21)10-13-26-20(24)14-16-4-6-17(7-5-16)19-15-25-12-11-22(19)28-2/h4-9,11-12,15,20,26H,10,13-14H2,1-3H3
InChIKeyUNQBNCOVSAGTCM-UHFFFAOYSA-N
XLogP4.20
TPSA52.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,8-dimethoxy-1-[[4-(4-methoxy-3-pyridinyl)phenyl]methyl]-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 5,8-dimethoxy-1-[[4-(4-methoxy-3-pyridinyl)phenyl]methyl]-1,2,3,4-tetrahydroisoquinoline (CID 85470918) is 5,8-dimethoxy-1-[[4-(4-methoxy-3-pyridinyl)phenyl]methyl]-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 5,8-dimethoxy-1-[[4-(4-methoxy-3-pyridinyl)phenyl]methyl]-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 5,8-dimethoxy-1-[[4-(4-methoxy-3-pyridinyl)phenyl]methyl]-1,2,3,4-tetrahydroisoquinoline is COc1ccncc1-c1ccc(CC2NCCc3c(OC)ccc(OC)c32)cc1.
What is the InChIKey of 5,8-dimethoxy-1-[[4-(4-methoxy-3-pyridinyl)phenyl]methyl]-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is UNQBNCOVSAGTCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3/c1-27-21-8-9-23(29-3)24-18(21)10-13-26-20(24)14-16-4-6-17(7-5-16)19-15-25-12-11-22(19)28-2/h4-9,11-12,15,20,26H,10,13-14H2,1-3H3.
What are the key properties of 5,8-dimethoxy-1-[[4-(4-methoxy-3-pyridinyl)phenyl]methyl]-1,2,3,4-tetrahydroisoquinoline?
5,8-dimethoxy-1-[[4-(4-methoxy-3-pyridinyl)phenyl]methyl]-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 390.48 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dimethoxy-1-[[4-(4-methoxy-3-pyridinyl)phenyl]methyl]-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 85470918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).