1-(2,2-diphenylethyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide

C26H28N2O3 — CID 11247050

IUPAC1-(2,2-diphenylethyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESCOc1cc2c(cc1OC)C(CC(c1ccccc1)c1ccccc1)N(C(N)=O)CC2
InChIInChI=1S/C26H28N2O3/c1-30-24-15-20-13-14-28(26(27)29)23(22(20)17-25(24)31-2)16-21(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,15,17,21,23H,13-14,16H2,1-2H3,(H2,27,29)
InChIKeyGZZRSHXGXPXWFV-UHFFFAOYSA-N
MW416.52 g/mol
LogP4.90
Rot. Bonds6

About 1-(2,2-diphenylethyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide

1-(2,2-diphenylethyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide (PubChem CID 11247050) has the molecular formula C26H28N2O3 and a molecular weight of 416.52 g/mol. Its IUPAC name is 1-(2,2-diphenylethyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide.

Molecular Properties

Compound Name1-(2,2-diphenylethyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide
PubChem CID11247050
Molecular FormulaC26H28N2O3
Molecular Weight416.52 g/mol
Exact Mass416.21
IUPAC Name1-(2,2-diphenylethyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESCOc1cc2c(cc1OC)C(CC(c1ccccc1)c1ccccc1)N(C(N)=O)CC2
InChIInChI=1S/C26H28N2O3/c1-30-24-15-20-13-14-28(26(27)29)23(22(20)17-25(24)31-2)16-21(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,15,17,21,23H,13-14,16H2,1-2H3,(H2,27,29)
InChIKeyGZZRSHXGXPXWFV-UHFFFAOYSA-N
XLogP4.90
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.52
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-diphenylethyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The IUPAC name of 1-(2,2-diphenylethyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide (CID 11247050) is 1-(2,2-diphenylethyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide.
What is the SMILES notation for 1-(2,2-diphenylethyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The canonical SMILES for 1-(2,2-diphenylethyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide is COc1cc2c(cc1OC)C(CC(c1ccccc1)c1ccccc1)N(C(N)=O)CC2.
What is the InChIKey of 1-(2,2-diphenylethyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The InChIKey is GZZRSHXGXPXWFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O3/c1-30-24-15-20-13-14-28(26(27)29)23(22(20)17-25(24)31-2)16-21(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,15,17,21,23H,13-14,16H2,1-2H3,(H2,27,29).
What are the key properties of 1-(2,2-diphenylethyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide?
1-(2,2-diphenylethyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide has a molecular weight of 416.52 g/mol, XLogP of 4.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-diphenylethyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide is sourced from PubChem (CID 11247050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).