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

C25H25N3O5 — CID 11957262

IUPAC6,7-dimethoxy-N-(3-methoxyphenyl)-2-methyl-1-oxo-3-pyridin-3-yl-3,4-dihydroisoquinoline-4-carboxamide
SMILESCOc1cccc(NC(=O)C2c3cc(OC)c(OC)cc3C(=O)N(C)C2c2cccnc2)c1
InChIInChI=1S/C25H25N3O5/c1-28-23(15-7-6-10-26-14-15)22(24(29)27-16-8-5-9-17(11-16)31-2)18-12-20(32-3)21(33-4)13-19(18)25(28)30/h5-14,22-23H,1-4H3,(H,27,29)
InChIKeyUWHFKZIYVWZHTH-UHFFFAOYSA-N
MW447.49 g/mol
LogP3.66
Rot. Bonds6

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

6,7-dimethoxy-N-(3-methoxyphenyl)-2-methyl-1-oxo-3-pyridin-3-yl-3,4-dihydroisoquinoline-4-carboxamide (PubChem CID 11957262) has the molecular formula C25H25N3O5 and a molecular weight of 447.49 g/mol. Its IUPAC name is 6,7-dimethoxy-N-(3-methoxyphenyl)-2-methyl-1-oxo-3-pyridin-3-yl-3,4-dihydroisoquinoline-4-carboxamide.

Molecular Properties

Compound Name6,7-dimethoxy-N-(3-methoxyphenyl)-2-methyl-1-oxo-3-pyridin-3-yl-3,4-dihydroisoquinoline-4-carboxamide
PubChem CID11957262
Molecular FormulaC25H25N3O5
Molecular Weight447.49 g/mol
Exact Mass447.18
IUPAC Name6,7-dimethoxy-N-(3-methoxyphenyl)-2-methyl-1-oxo-3-pyridin-3-yl-3,4-dihydroisoquinoline-4-carboxamide
SMILESCOc1cccc(NC(=O)C2c3cc(OC)c(OC)cc3C(=O)N(C)C2c2cccnc2)c1
InChIInChI=1S/C25H25N3O5/c1-28-23(15-7-6-10-26-14-15)22(24(29)27-16-8-5-9-17(11-16)31-2)18-12-20(32-3)21(33-4)13-19(18)25(28)30/h5-14,22-23H,1-4H3,(H,27,29)
InChIKeyUWHFKZIYVWZHTH-UHFFFAOYSA-N
XLogP3.66
TPSA89.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.49
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-N-(3-methoxyphenyl)-2-methyl-1-oxo-3-pyridin-3-yl-3,4-dihydroisoquinoline-4-carboxamide?
The IUPAC name of 6,7-dimethoxy-N-(3-methoxyphenyl)-2-methyl-1-oxo-3-pyridin-3-yl-3,4-dihydroisoquinoline-4-carboxamide (CID 11957262) is 6,7-dimethoxy-N-(3-methoxyphenyl)-2-methyl-1-oxo-3-pyridin-3-yl-3,4-dihydroisoquinoline-4-carboxamide.
What is the SMILES notation for 6,7-dimethoxy-N-(3-methoxyphenyl)-2-methyl-1-oxo-3-pyridin-3-yl-3,4-dihydroisoquinoline-4-carboxamide?
The canonical SMILES for 6,7-dimethoxy-N-(3-methoxyphenyl)-2-methyl-1-oxo-3-pyridin-3-yl-3,4-dihydroisoquinoline-4-carboxamide is COc1cccc(NC(=O)C2c3cc(OC)c(OC)cc3C(=O)N(C)C2c2cccnc2)c1.
What is the InChIKey of 6,7-dimethoxy-N-(3-methoxyphenyl)-2-methyl-1-oxo-3-pyridin-3-yl-3,4-dihydroisoquinoline-4-carboxamide?
The InChIKey is UWHFKZIYVWZHTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O5/c1-28-23(15-7-6-10-26-14-15)22(24(29)27-16-8-5-9-17(11-16)31-2)18-12-20(32-3)21(33-4)13-19(18)25(28)30/h5-14,22-23H,1-4H3,(H,27,29).
What are the key properties of 6,7-dimethoxy-N-(3-methoxyphenyl)-2-methyl-1-oxo-3-pyridin-3-yl-3,4-dihydroisoquinoline-4-carboxamide?
6,7-dimethoxy-N-(3-methoxyphenyl)-2-methyl-1-oxo-3-pyridin-3-yl-3,4-dihydroisoquinoline-4-carboxamide has a molecular weight of 447.49 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-N-(3-methoxyphenyl)-2-methyl-1-oxo-3-pyridin-3-yl-3,4-dihydroisoquinoline-4-carboxamide is sourced from PubChem (CID 11957262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).