6,7-dimethoxy-1-methyl-N-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide

C19H22N2O3 — CID 2812737

IUPAC6,7-dimethoxy-1-methyl-N-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESCOc1cc2c(cc1OC)C(C)N(C(=O)Nc1ccccc1)CC2
InChIInChI=1S/C19H22N2O3/c1-13-16-12-18(24-3)17(23-2)11-14(16)9-10-21(13)19(22)20-15-7-5-4-6-8-15/h4-8,11-13H,9-10H2,1-3H3,(H,20,22)
InChIKeyYIBCCAIYQMLEMM-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.86
Rot. Bonds3

About 6,7-dimethoxy-1-methyl-N-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide

6,7-dimethoxy-1-methyl-N-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide (PubChem CID 2812737) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 6,7-dimethoxy-1-methyl-N-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide.

Molecular Properties

Compound Name6,7-dimethoxy-1-methyl-N-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
PubChem CID2812737
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name6,7-dimethoxy-1-methyl-N-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESCOc1cc2c(cc1OC)C(C)N(C(=O)Nc1ccccc1)CC2
InChIInChI=1S/C19H22N2O3/c1-13-16-12-18(24-3)17(23-2)11-14(16)9-10-21(13)19(22)20-15-7-5-4-6-8-15/h4-8,11-13H,9-10H2,1-3H3,(H,20,22)
InChIKeyYIBCCAIYQMLEMM-UHFFFAOYSA-N
XLogP3.86
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-1-methyl-N-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The IUPAC name of 6,7-dimethoxy-1-methyl-N-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide (CID 2812737) is 6,7-dimethoxy-1-methyl-N-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide.
What is the SMILES notation for 6,7-dimethoxy-1-methyl-N-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The canonical SMILES for 6,7-dimethoxy-1-methyl-N-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide is COc1cc2c(cc1OC)C(C)N(C(=O)Nc1ccccc1)CC2.
What is the InChIKey of 6,7-dimethoxy-1-methyl-N-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The InChIKey is YIBCCAIYQMLEMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-13-16-12-18(24-3)17(23-2)11-14(16)9-10-21(13)19(22)20-15-7-5-4-6-8-15/h4-8,11-13H,9-10H2,1-3H3,(H,20,22).
What are the key properties of 6,7-dimethoxy-1-methyl-N-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
6,7-dimethoxy-1-methyl-N-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-1-methyl-N-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide is sourced from PubChem (CID 2812737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).