3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline

C19H23NO4 — CID 10882055

IUPAC3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1ccc(C2Cc3cc(OC)c(OC)cc3CN2)cc1OC
InChIInChI=1S/C19H23NO4/c1-21-16-6-5-12(8-17(16)22-2)15-7-13-9-18(23-3)19(24-4)10-14(13)11-20-15/h5-6,8-10,15,20H,7,11H2,1-4H3
InChIKeyOZWNLJGNSFFLRN-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.11
Rot. Bonds5

About 3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline

3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline (PubChem CID 10882055) has the molecular formula C19H23NO4 and a molecular weight of 329.40 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
PubChem CID10882055
Molecular FormulaC19H23NO4
Molecular Weight329.40 g/mol
Exact Mass329.16
IUPAC Name3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1ccc(C2Cc3cc(OC)c(OC)cc3CN2)cc1OC
InChIInChI=1S/C19H23NO4/c1-21-16-6-5-12(8-17(16)22-2)15-7-13-9-18(23-3)19(24-4)10-14(13)11-20-15/h5-6,8-10,15,20H,7,11H2,1-4H3
InChIKeyOZWNLJGNSFFLRN-UHFFFAOYSA-N
XLogP3.11
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline (CID 10882055) is 3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline is COc1ccc(C2Cc3cc(OC)c(OC)cc3CN2)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is OZWNLJGNSFFLRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4/c1-21-16-6-5-12(8-17(16)22-2)15-7-13-9-18(23-3)19(24-4)10-14(13)11-20-15/h5-6,8-10,15,20H,7,11H2,1-4H3.
What are the key properties of 3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline?
3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 329.40 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 10882055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).