2-[(2,4-dimethoxy-3-methylphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline

C21H27NO4 — CID 1377320

IUPAC2-[(2,4-dimethoxy-3-methylphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
SMILESCOc1cc2c(cc1OC)CN(Cc1ccc(OC)c(C)c1OC)CC2
InChIInChI=1S/C21H27NO4/c1-14-18(23-2)7-6-16(21(14)26-5)12-22-9-8-15-10-19(24-3)20(25-4)11-17(15)13-22/h6-7,10-11H,8-9,12-13H2,1-5H3
InChIKeyILJTXKNIYLUOKP-UHFFFAOYSA-N
MW357.45 g/mol
LogP3.59
Rot. Bonds6

About 2-[(2,4-dimethoxy-3-methylphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline

2-[(2,4-dimethoxy-3-methylphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline (PubChem CID 1377320) has the molecular formula C21H27NO4 and a molecular weight of 357.45 g/mol. Its IUPAC name is 2-[(2,4-dimethoxy-3-methylphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2-[(2,4-dimethoxy-3-methylphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
PubChem CID1377320
Molecular FormulaC21H27NO4
Molecular Weight357.45 g/mol
Exact Mass357.19
IUPAC Name2-[(2,4-dimethoxy-3-methylphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
SMILESCOc1cc2c(cc1OC)CN(Cc1ccc(OC)c(C)c1OC)CC2
InChIInChI=1S/C21H27NO4/c1-14-18(23-2)7-6-16(21(14)26-5)12-22-9-8-15-10-19(24-3)20(25-4)11-17(15)13-22/h6-7,10-11H,8-9,12-13H2,1-5H3
InChIKeyILJTXKNIYLUOKP-UHFFFAOYSA-N
XLogP3.59
TPSA40.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dimethoxy-3-methylphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2-[(2,4-dimethoxy-3-methylphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline (CID 1377320) is 2-[(2,4-dimethoxy-3-methylphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2-[(2,4-dimethoxy-3-methylphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2-[(2,4-dimethoxy-3-methylphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline is COc1cc2c(cc1OC)CN(Cc1ccc(OC)c(C)c1OC)CC2.
What is the InChIKey of 2-[(2,4-dimethoxy-3-methylphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline?
The InChIKey is ILJTXKNIYLUOKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO4/c1-14-18(23-2)7-6-16(21(14)26-5)12-22-9-8-15-10-19(24-3)20(25-4)11-17(15)13-22/h6-7,10-11H,8-9,12-13H2,1-5H3.
What are the key properties of 2-[(2,4-dimethoxy-3-methylphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline?
2-[(2,4-dimethoxy-3-methylphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline has a molecular weight of 357.45 g/mol, XLogP of 3.59, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dimethoxy-3-methylphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 1377320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).