1-benzyl-1,2,3-trimethoxy-3,4-dihydroisoquinoline

C19H23NO3 — CID 70613317

IUPAC1-benzyl-1,2,3-trimethoxy-3,4-dihydroisoquinoline
SMILESCOC1Cc2ccccc2C(Cc2ccccc2)(OC)N1OC
InChIInChI=1S/C19H23NO3/c1-21-18-13-16-11-7-8-12-17(16)19(22-2,20(18)23-3)14-15-9-5-4-6-10-15/h4-12,18H,13-14H2,1-3H3
InChIKeyFBUAJECVOQZSLK-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.12
Rot. Bonds5

About 1-benzyl-1,2,3-trimethoxy-3,4-dihydroisoquinoline

1-benzyl-1,2,3-trimethoxy-3,4-dihydroisoquinoline (PubChem CID 70613317) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is 1-benzyl-1,2,3-trimethoxy-3,4-dihydroisoquinoline.

Molecular Properties

Compound Name1-benzyl-1,2,3-trimethoxy-3,4-dihydroisoquinoline
PubChem CID70613317
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Name1-benzyl-1,2,3-trimethoxy-3,4-dihydroisoquinoline
SMILESCOC1Cc2ccccc2C(Cc2ccccc2)(OC)N1OC
InChIInChI=1S/C19H23NO3/c1-21-18-13-16-11-7-8-12-17(16)19(22-2,20(18)23-3)14-15-9-5-4-6-10-15/h4-12,18H,13-14H2,1-3H3
InChIKeyFBUAJECVOQZSLK-UHFFFAOYSA-N
XLogP3.12
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-1,2,3-trimethoxy-3,4-dihydroisoquinoline?
The IUPAC name of 1-benzyl-1,2,3-trimethoxy-3,4-dihydroisoquinoline (CID 70613317) is 1-benzyl-1,2,3-trimethoxy-3,4-dihydroisoquinoline.
What is the SMILES notation for 1-benzyl-1,2,3-trimethoxy-3,4-dihydroisoquinoline?
The canonical SMILES for 1-benzyl-1,2,3-trimethoxy-3,4-dihydroisoquinoline is COC1Cc2ccccc2C(Cc2ccccc2)(OC)N1OC.
What is the InChIKey of 1-benzyl-1,2,3-trimethoxy-3,4-dihydroisoquinoline?
The InChIKey is FBUAJECVOQZSLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-21-18-13-16-11-7-8-12-17(16)19(22-2,20(18)23-3)14-15-9-5-4-6-10-15/h4-12,18H,13-14H2,1-3H3.
What are the key properties of 1-benzyl-1,2,3-trimethoxy-3,4-dihydroisoquinoline?
1-benzyl-1,2,3-trimethoxy-3,4-dihydroisoquinoline has a molecular weight of 313.40 g/mol, XLogP of 3.12, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-1,2,3-trimethoxy-3,4-dihydroisoquinoline is sourced from PubChem (CID 70613317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).