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

C18H20N2O3 — CID 4750171

IUPAC6,7-dimethoxy-N-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESCOc1cc2c(cc1OC)CN(C(=O)Nc1ccccc1)CC2
InChIInChI=1S/C18H20N2O3/c1-22-16-10-13-8-9-20(12-14(13)11-17(16)23-2)18(21)19-15-6-4-3-5-7-15/h3-7,10-11H,8-9,12H2,1-2H3,(H,19,21)
InChIKeyVYWJFEZOCIEGAD-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.29
Rot. Bonds3

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

6,7-dimethoxy-N-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide (PubChem CID 4750171) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 6,7-dimethoxy-N-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide.

Molecular Properties

Compound Name6,7-dimethoxy-N-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
PubChem CID4750171
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name6,7-dimethoxy-N-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESCOc1cc2c(cc1OC)CN(C(=O)Nc1ccccc1)CC2
InChIInChI=1S/C18H20N2O3/c1-22-16-10-13-8-9-20(12-14(13)11-17(16)23-2)18(21)19-15-6-4-3-5-7-15/h3-7,10-11H,8-9,12H2,1-2H3,(H,19,21)
InChIKeyVYWJFEZOCIEGAD-UHFFFAOYSA-N
XLogP3.29
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-N-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The IUPAC name of 6,7-dimethoxy-N-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide (CID 4750171) is 6,7-dimethoxy-N-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide.
What is the SMILES notation for 6,7-dimethoxy-N-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The canonical SMILES for 6,7-dimethoxy-N-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide is COc1cc2c(cc1OC)CN(C(=O)Nc1ccccc1)CC2.
What is the InChIKey of 6,7-dimethoxy-N-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The InChIKey is VYWJFEZOCIEGAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-22-16-10-13-8-9-20(12-14(13)11-17(16)23-2)18(21)19-15-6-4-3-5-7-15/h3-7,10-11H,8-9,12H2,1-2H3,(H,19,21).
What are the key properties of 6,7-dimethoxy-N-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
6,7-dimethoxy-N-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-N-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide is sourced from PubChem (CID 4750171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).