6,7-dimethoxy-3-(4-methoxyphenyl)-2-methyl-1-oxo-N-(pyridin-2-ylmethyl)-3,4-dihydroisoquinoline-4-carboxamide

C26H27N3O5 — CID 3241139

IUPAC6,7-dimethoxy-3-(4-methoxyphenyl)-2-methyl-1-oxo-N-(pyridin-2-ylmethyl)-3,4-dihydroisoquinoline-4-carboxamide
SMILESCOc1ccc(C2C(C(=O)NCc3ccccn3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1
InChIInChI=1S/C26H27N3O5/c1-29-24(16-8-10-18(32-2)11-9-16)23(25(30)28-15-17-7-5-6-12-27-17)19-13-21(33-3)22(34-4)14-20(19)26(29)31/h5-14,23-24H,15H2,1-4H3,(H,28,30)
InChIKeyLXYCKQUKBQBADF-UHFFFAOYSA-N
MW461.52 g/mol
LogP3.33
Rot. Bonds7

About 6,7-dimethoxy-3-(4-methoxyphenyl)-2-methyl-1-oxo-N-(pyridin-2-ylmethyl)-3,4-dihydroisoquinoline-4-carboxamide

6,7-dimethoxy-3-(4-methoxyphenyl)-2-methyl-1-oxo-N-(pyridin-2-ylmethyl)-3,4-dihydroisoquinoline-4-carboxamide (PubChem CID 3241139) has the molecular formula C26H27N3O5 and a molecular weight of 461.52 g/mol. Its IUPAC name is 6,7-dimethoxy-3-(4-methoxyphenyl)-2-methyl-1-oxo-N-(pyridin-2-ylmethyl)-3,4-dihydroisoquinoline-4-carboxamide.

Molecular Properties

Compound Name6,7-dimethoxy-3-(4-methoxyphenyl)-2-methyl-1-oxo-N-(pyridin-2-ylmethyl)-3,4-dihydroisoquinoline-4-carboxamide
PubChem CID3241139
Molecular FormulaC26H27N3O5
Molecular Weight461.52 g/mol
Exact Mass461.20
IUPAC Name6,7-dimethoxy-3-(4-methoxyphenyl)-2-methyl-1-oxo-N-(pyridin-2-ylmethyl)-3,4-dihydroisoquinoline-4-carboxamide
SMILESCOc1ccc(C2C(C(=O)NCc3ccccn3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1
InChIInChI=1S/C26H27N3O5/c1-29-24(16-8-10-18(32-2)11-9-16)23(25(30)28-15-17-7-5-6-12-27-17)19-13-21(33-3)22(34-4)14-20(19)26(29)31/h5-14,23-24H,15H2,1-4H3,(H,28,30)
InChIKeyLXYCKQUKBQBADF-UHFFFAOYSA-N
XLogP3.33
TPSA89.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.52
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-3-(4-methoxyphenyl)-2-methyl-1-oxo-N-(pyridin-2-ylmethyl)-3,4-dihydroisoquinoline-4-carboxamide?
The IUPAC name of 6,7-dimethoxy-3-(4-methoxyphenyl)-2-methyl-1-oxo-N-(pyridin-2-ylmethyl)-3,4-dihydroisoquinoline-4-carboxamide (CID 3241139) is 6,7-dimethoxy-3-(4-methoxyphenyl)-2-methyl-1-oxo-N-(pyridin-2-ylmethyl)-3,4-dihydroisoquinoline-4-carboxamide.
What is the SMILES notation for 6,7-dimethoxy-3-(4-methoxyphenyl)-2-methyl-1-oxo-N-(pyridin-2-ylmethyl)-3,4-dihydroisoquinoline-4-carboxamide?
The canonical SMILES for 6,7-dimethoxy-3-(4-methoxyphenyl)-2-methyl-1-oxo-N-(pyridin-2-ylmethyl)-3,4-dihydroisoquinoline-4-carboxamide is COc1ccc(C2C(C(=O)NCc3ccccn3)c3cc(OC)c(OC)cc3C(=O)N2C)cc1.
What is the InChIKey of 6,7-dimethoxy-3-(4-methoxyphenyl)-2-methyl-1-oxo-N-(pyridin-2-ylmethyl)-3,4-dihydroisoquinoline-4-carboxamide?
The InChIKey is LXYCKQUKBQBADF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O5/c1-29-24(16-8-10-18(32-2)11-9-16)23(25(30)28-15-17-7-5-6-12-27-17)19-13-21(33-3)22(34-4)14-20(19)26(29)31/h5-14,23-24H,15H2,1-4H3,(H,28,30).
What are the key properties of 6,7-dimethoxy-3-(4-methoxyphenyl)-2-methyl-1-oxo-N-(pyridin-2-ylmethyl)-3,4-dihydroisoquinoline-4-carboxamide?
6,7-dimethoxy-3-(4-methoxyphenyl)-2-methyl-1-oxo-N-(pyridin-2-ylmethyl)-3,4-dihydroisoquinoline-4-carboxamide has a molecular weight of 461.52 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-3-(4-methoxyphenyl)-2-methyl-1-oxo-N-(pyridin-2-ylmethyl)-3,4-dihydroisoquinoline-4-carboxamide is sourced from PubChem (CID 3241139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).