N-(2-anilino-2-oxoethyl)-1-methoxy-N-methylisoquinoline-3-carboxamide

C20H19N3O3 — CID 47079341

IUPACN-(2-anilino-2-oxoethyl)-1-methoxy-N-methylisoquinoline-3-carboxamide
SMILESCOc1nc(C(=O)N(C)CC(=O)Nc2ccccc2)cc2ccccc12
InChIInChI=1S/C20H19N3O3/c1-23(13-18(24)21-15-9-4-3-5-10-15)20(25)17-12-14-8-6-7-11-16(14)19(22-17)26-2/h3-12H,13H2,1-2H3,(H,21,24)
InChIKeyAXHWAZLPLPJIMI-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.95
Rot. Bonds5

About N-(2-anilino-2-oxoethyl)-1-methoxy-N-methylisoquinoline-3-carboxamide

N-(2-anilino-2-oxoethyl)-1-methoxy-N-methylisoquinoline-3-carboxamide (PubChem CID 47079341) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is N-(2-anilino-2-oxoethyl)-1-methoxy-N-methylisoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(2-anilino-2-oxoethyl)-1-methoxy-N-methylisoquinoline-3-carboxamide
PubChem CID47079341
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC NameN-(2-anilino-2-oxoethyl)-1-methoxy-N-methylisoquinoline-3-carboxamide
SMILESCOc1nc(C(=O)N(C)CC(=O)Nc2ccccc2)cc2ccccc12
InChIInChI=1S/C20H19N3O3/c1-23(13-18(24)21-15-9-4-3-5-10-15)20(25)17-12-14-8-6-7-11-16(14)19(22-17)26-2/h3-12H,13H2,1-2H3,(H,21,24)
InChIKeyAXHWAZLPLPJIMI-UHFFFAOYSA-N
XLogP2.95
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2-anilino-2-oxoethyl)-1-methoxy-N-methylisoquinoline-3-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

N-(2-anilino-2-oxoethyl)-3,4-dimethoxy-N-methylbenzamide
CID 46418355
N-[2-(4-methoxyanilino)-2-oxoethyl]-N,5-dimethyl-1,2-oxazole-3-carboxamide
CID 24979162
N-(2-anilino-2-oxoethyl)-2-bromo-N-methylpyridine-4-carboxamide
CID 103752363
2-hydroxy-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylbenzamide
CID 39122596
N-(2-anilino-2-oxoethyl)-N-methyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 55637744
N-(2-anilino-2-oxoethyl)-2-(furan-2-yl)-N-methylquinoline-4-carboxamide
CID 55638886
N-(2-anilino-2-oxoethyl)-3-iodo-N-methylbenzamide
CID 55637665
3-amino-N-(2-anilino-2-oxoethyl)-N-methylbenzamide
CID 60944613
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-1-benzothiophene-2-carboxamide
CID 17397125
N-[2-(3-methoxyanilino)-2-oxoethyl]-2-(4-methoxyphenyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 27787175
N-(2-anilino-2-oxoethyl)-1-(3-chlorophenyl)-N-methylpyrazole-3-carboxamide
CID 51122600
N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 42882464

Frequently Asked Questions

What is the IUPAC name of N-(2-anilino-2-oxoethyl)-1-methoxy-N-methylisoquinoline-3-carboxamide?
The IUPAC name of N-(2-anilino-2-oxoethyl)-1-methoxy-N-methylisoquinoline-3-carboxamide (CID 47079341) is N-(2-anilino-2-oxoethyl)-1-methoxy-N-methylisoquinoline-3-carboxamide.
What is the SMILES notation for N-(2-anilino-2-oxoethyl)-1-methoxy-N-methylisoquinoline-3-carboxamide?
The canonical SMILES for N-(2-anilino-2-oxoethyl)-1-methoxy-N-methylisoquinoline-3-carboxamide is COc1nc(C(=O)N(C)CC(=O)Nc2ccccc2)cc2ccccc12.
What is the InChIKey of N-(2-anilino-2-oxoethyl)-1-methoxy-N-methylisoquinoline-3-carboxamide?
The InChIKey is AXHWAZLPLPJIMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-23(13-18(24)21-15-9-4-3-5-10-15)20(25)17-12-14-8-6-7-11-16(14)19(22-17)26-2/h3-12H,13H2,1-2H3,(H,21,24).
What are the key properties of N-(2-anilino-2-oxoethyl)-1-methoxy-N-methylisoquinoline-3-carboxamide?
N-(2-anilino-2-oxoethyl)-1-methoxy-N-methylisoquinoline-3-carboxamide has a molecular weight of 349.39 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-anilino-2-oxoethyl)-1-methoxy-N-methylisoquinoline-3-carboxamide is sourced from PubChem (CID 47079341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).