3-(3,4-dimethoxyphenyl)-2-methyl-N-(6-methyl-2-pyridinyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide

C25H25N3O4 — CID 3237794

IUPAC3-(3,4-dimethoxyphenyl)-2-methyl-N-(6-methyl-2-pyridinyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide
SMILESCOc1ccc(C2C(C(=O)Nc3cccc(C)n3)c3ccccc3C(=O)N2C)cc1OC
InChIInChI=1S/C25H25N3O4/c1-15-8-7-11-21(26-15)27-24(29)22-17-9-5-6-10-18(17)25(30)28(2)23(22)16-12-13-19(31-3)20(14-16)32-4/h5-14,22-23H,1-4H3,(H,26,27,29)
InChIKeyHHGIZIQTSMFYJE-UHFFFAOYSA-N
MW431.49 g/mol
LogP3.96
Rot. Bonds5

About 3-(3,4-dimethoxyphenyl)-2-methyl-N-(6-methyl-2-pyridinyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide

3-(3,4-dimethoxyphenyl)-2-methyl-N-(6-methyl-2-pyridinyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide (PubChem CID 3237794) has the molecular formula C25H25N3O4 and a molecular weight of 431.49 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-2-methyl-N-(6-methyl-2-pyridinyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-2-methyl-N-(6-methyl-2-pyridinyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide
PubChem CID3237794
Molecular FormulaC25H25N3O4
Molecular Weight431.49 g/mol
Exact Mass431.18
IUPAC Name3-(3,4-dimethoxyphenyl)-2-methyl-N-(6-methyl-2-pyridinyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide
SMILESCOc1ccc(C2C(C(=O)Nc3cccc(C)n3)c3ccccc3C(=O)N2C)cc1OC
InChIInChI=1S/C25H25N3O4/c1-15-8-7-11-21(26-15)27-24(29)22-17-9-5-6-10-18(17)25(30)28(2)23(22)16-12-13-19(31-3)20(14-16)32-4/h5-14,22-23H,1-4H3,(H,26,27,29)
InChIKeyHHGIZIQTSMFYJE-UHFFFAOYSA-N
XLogP3.96
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.49
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(3,4-dimethoxyphenyl)-2-methyl-N-(6-methyl-2-pyridinyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide with MolForge

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Related Compounds

2-amino-6,7-dimethoxy-N-phenylquinoline-3-carboxamide
CID 615754
N-(2-(4-Ethylpiperazin-1-yl)-4-methylquinolin-6-yl)-3,4-dimethoxybenzamide
CID 9550693
6-[benzyl(ethyl)amino]-N-(2-phenoxyethyl)-2-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide
CID 25218732
3,4-dimethoxy-N-(4-methyl-2-piperidin-1-ylquinolin-6-yl)benzamide
CID 12005317
N-[2-(3,4-Dimethoxyphenyl)ethyl]-2-(phenylamino)quinoline-4-carboxamide
CID 4147575
[4-(4-Amino-6,7-dimethoxyquinolin-2-yl)piperazin-1-yl](phenyl)methanone
CID 14069001
11-amino-2,3-dimethoxy-5,6,13,13a-tetrahydro-8H-pyrimido[4',5':4,5]pyrido[2,1-a]isoquinolin-8-one
CID 3821685
10,11-dimethoxy-7,8,12b,13-tetrahydro-5H-1,3,6-triazatetraphen-5-one
CID 4309119
2-((6,7-dimethoxyquinolin-4-yl)methyl)-N-(pyridin-2-yl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 24960306
(7R)-2-amino-7-[4-methoxy-2-(6-methoxy-2-pyridinyl)phenyl]-4-methyl-7,8-dihydro-6H-pyrido[4,3-d]pyrimidin-5-one
CID 57424917
N-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]-2-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 132574625
6-(6-ethoxy-5-propan-2-yloxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(6-methyl-2-pyridinyl)pyridine-3-carboxamide
CID 142752336

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-2-methyl-N-(6-methyl-2-pyridinyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-2-methyl-N-(6-methyl-2-pyridinyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide (CID 3237794) is 3-(3,4-dimethoxyphenyl)-2-methyl-N-(6-methyl-2-pyridinyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-2-methyl-N-(6-methyl-2-pyridinyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-2-methyl-N-(6-methyl-2-pyridinyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide is COc1ccc(C2C(C(=O)Nc3cccc(C)n3)c3ccccc3C(=O)N2C)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-2-methyl-N-(6-methyl-2-pyridinyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide?
The InChIKey is HHGIZIQTSMFYJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O4/c1-15-8-7-11-21(26-15)27-24(29)22-17-9-5-6-10-18(17)25(30)28(2)23(22)16-12-13-19(31-3)20(14-16)32-4/h5-14,22-23H,1-4H3,(H,26,27,29).
What are the key properties of 3-(3,4-dimethoxyphenyl)-2-methyl-N-(6-methyl-2-pyridinyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide?
3-(3,4-dimethoxyphenyl)-2-methyl-N-(6-methyl-2-pyridinyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide has a molecular weight of 431.49 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-2-methyl-N-(6-methyl-2-pyridinyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide is sourced from PubChem (CID 3237794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).