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

C19H19N3O4 — CID 3241772

IUPAC6,7-dimethoxy-2-methyl-1-oxo-N-(pyridin-2-ylmethyl)isoquinoline-4-carboxamide
SMILESCOc1cc2c(C(=O)NCc3ccccn3)cn(C)c(=O)c2cc1OC
InChIInChI=1S/C19H19N3O4/c1-22-11-15(18(23)21-10-12-6-4-5-7-20-12)13-8-16(25-2)17(26-3)9-14(13)19(22)24/h4-9,11H,10H2,1-3H3,(H,21,23)
InChIKeyIARUOVSVYPYWQT-UHFFFAOYSA-N
MW353.38 g/mol
LogP1.88
Rot. Bonds5

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

6,7-dimethoxy-2-methyl-1-oxo-N-(pyridin-2-ylmethyl)isoquinoline-4-carboxamide (PubChem CID 3241772) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is 6,7-dimethoxy-2-methyl-1-oxo-N-(pyridin-2-ylmethyl)isoquinoline-4-carboxamide.

Molecular Properties

Compound Name6,7-dimethoxy-2-methyl-1-oxo-N-(pyridin-2-ylmethyl)isoquinoline-4-carboxamide
PubChem CID3241772
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC Name6,7-dimethoxy-2-methyl-1-oxo-N-(pyridin-2-ylmethyl)isoquinoline-4-carboxamide
SMILESCOc1cc2c(C(=O)NCc3ccccn3)cn(C)c(=O)c2cc1OC
InChIInChI=1S/C19H19N3O4/c1-22-11-15(18(23)21-10-12-6-4-5-7-20-12)13-8-16(25-2)17(26-3)9-14(13)19(22)24/h4-9,11H,10H2,1-3H3,(H,21,23)
InChIKeyIARUOVSVYPYWQT-UHFFFAOYSA-N
XLogP1.88
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6,7-dimethoxy-2-methyl-1-oxo-N-(pyridin-2-ylmethyl)isoquinoline-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Papaveraldine
CID 96932
6'-(2-(1-(Pyridin-2-ylmethyl)piperidin-4-yl)ethyl)spiro[cyClopropane-1,5'-[1,3]dioxolo[4,5-f]isoindol]-7'(6'H)-one
CID 72707125
4-phenoxy-N-(pyridin-2-ylmethyl)benzamide
CID 2352168
(2S)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3,3-dimethyl-2-(pyridin-4-ylmethylamino)butan-1-one
CID 10408514
N-(3,4-dimethoxybenzyl)-5-(3,5-dimethylphenyl)-2,3'-bipyridine-3-carboxamide
CID 24896566
N-[(3,4-dimethoxyphenyl)methyl]-5-(3-fluoro-5-methylphenyl)-2-pyridin-3-ylpyridine-3-carboxamide
CID 25060899
N-[2-[(2S)-2-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoacetyl]pyrrolidin-1-yl]-2-oxoethyl]quinoline-4-carboxamide
CID 164614014
N-[2-[(2S)-2-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoacetyl]pyrrolidin-1-yl]-2-oxoethyl]quinoline-4-carboxamide
CID 164628729
3,4-dimethoxy-N-[(2-methylquinolin-4-yl)methyl]benzamide
CID 1504527
3,4,5-trimethoxy-N-3-pyridylbenzamide
CID 678080
Pseudocoralyne
CID 72351
N-(2-chloropyridin-3-yl)-3,4-dimethoxybenzamide
CID 836058

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-2-methyl-1-oxo-N-(pyridin-2-ylmethyl)isoquinoline-4-carboxamide?
The IUPAC name of 6,7-dimethoxy-2-methyl-1-oxo-N-(pyridin-2-ylmethyl)isoquinoline-4-carboxamide (CID 3241772) is 6,7-dimethoxy-2-methyl-1-oxo-N-(pyridin-2-ylmethyl)isoquinoline-4-carboxamide.
What is the SMILES notation for 6,7-dimethoxy-2-methyl-1-oxo-N-(pyridin-2-ylmethyl)isoquinoline-4-carboxamide?
The canonical SMILES for 6,7-dimethoxy-2-methyl-1-oxo-N-(pyridin-2-ylmethyl)isoquinoline-4-carboxamide is COc1cc2c(C(=O)NCc3ccccn3)cn(C)c(=O)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-2-methyl-1-oxo-N-(pyridin-2-ylmethyl)isoquinoline-4-carboxamide?
The InChIKey is IARUOVSVYPYWQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-22-11-15(18(23)21-10-12-6-4-5-7-20-12)13-8-16(25-2)17(26-3)9-14(13)19(22)24/h4-9,11H,10H2,1-3H3,(H,21,23).
What are the key properties of 6,7-dimethoxy-2-methyl-1-oxo-N-(pyridin-2-ylmethyl)isoquinoline-4-carboxamide?
6,7-dimethoxy-2-methyl-1-oxo-N-(pyridin-2-ylmethyl)isoquinoline-4-carboxamide has a molecular weight of 353.38 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-2-methyl-1-oxo-N-(pyridin-2-ylmethyl)isoquinoline-4-carboxamide is sourced from PubChem (CID 3241772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).