N-[1-(2,4-dimethoxyphenyl)ethyl]isoquinoline-1-carboxamide

C20H20N2O3 — CID 51128012

IUPACN-[1-(2,4-dimethoxyphenyl)ethyl]isoquinoline-1-carboxamide
SMILESCOc1ccc(C(C)NC(=O)c2nccc3ccccc23)c(OC)c1
InChIInChI=1S/C20H20N2O3/c1-13(16-9-8-15(24-2)12-18(16)25-3)22-20(23)19-17-7-5-4-6-14(17)10-11-21-19/h4-13H,1-3H3,(H,22,23)
InChIKeyGGJSSNPYDLKBJD-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.74
Rot. Bonds5

About N-[1-(2,4-dimethoxyphenyl)ethyl]isoquinoline-1-carboxamide

N-[1-(2,4-dimethoxyphenyl)ethyl]isoquinoline-1-carboxamide (PubChem CID 51128012) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is N-[1-(2,4-dimethoxyphenyl)ethyl]isoquinoline-1-carboxamide.

Molecular Properties

Compound NameN-[1-(2,4-dimethoxyphenyl)ethyl]isoquinoline-1-carboxamide
PubChem CID51128012
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC NameN-[1-(2,4-dimethoxyphenyl)ethyl]isoquinoline-1-carboxamide
SMILESCOc1ccc(C(C)NC(=O)c2nccc3ccccc23)c(OC)c1
InChIInChI=1S/C20H20N2O3/c1-13(16-9-8-15(24-2)12-18(16)25-3)22-20(23)19-17-7-5-4-6-14(17)10-11-21-19/h4-13H,1-3H3,(H,22,23)
InChIKeyGGJSSNPYDLKBJD-UHFFFAOYSA-N
XLogP3.74
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-(2,4-dimethoxyphenyl)ethyl]isoquinoline-1-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-[(R)-(4-methoxyphenyl)-phenylmethyl]isoquinoline-1-carboxamide
CID 52786837
N-[1-(2,4-dimethoxyphenyl)ethyl]-2-ethoxypyridine-3-carboxamide
CID 134053639
N-[5-(2,4-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]isoquinoline-1-carboxamide
CID 60611003
N-[1-(2,4-dimethoxyphenyl)ethyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 134053732
N-[1-(2,4-dimethoxyphenyl)ethyl]-3-(4-methoxyphenyl)propanamide
CID 134053548
N-[1-(2,4-dimethoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 63047661
methyl 4-[[(1R)-1-(2,4-dimethoxyphenyl)ethyl]carbamoyl]benzoate
CID 94045094
1-[1-(2,4-dimethoxyphenyl)ethyl]-3-quinolin-8-ylurea
CID 55695740
N-[1-(2,4-dimethoxyphenyl)ethyl]-1H-pyrazole-4-carboxamide
CID 60968183
N-(4-hydroxybutan-2-yl)isoquinoline-1-carboxamide
CID 81042151
N-[1-(2,4-dimethoxyphenyl)ethyl]-3-methylbutanamide
CID 4163313
6-chloro-N-[1-(2,4-dimethoxyphenyl)ethyl]pyridine-3-carboxamide
CID 134053626

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethoxyphenyl)ethyl]isoquinoline-1-carboxamide?
The IUPAC name of N-[1-(2,4-dimethoxyphenyl)ethyl]isoquinoline-1-carboxamide (CID 51128012) is N-[1-(2,4-dimethoxyphenyl)ethyl]isoquinoline-1-carboxamide.
What is the SMILES notation for N-[1-(2,4-dimethoxyphenyl)ethyl]isoquinoline-1-carboxamide?
The canonical SMILES for N-[1-(2,4-dimethoxyphenyl)ethyl]isoquinoline-1-carboxamide is COc1ccc(C(C)NC(=O)c2nccc3ccccc23)c(OC)c1.
What is the InChIKey of N-[1-(2,4-dimethoxyphenyl)ethyl]isoquinoline-1-carboxamide?
The InChIKey is GGJSSNPYDLKBJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-13(16-9-8-15(24-2)12-18(16)25-3)22-20(23)19-17-7-5-4-6-14(17)10-11-21-19/h4-13H,1-3H3,(H,22,23).
What are the key properties of N-[1-(2,4-dimethoxyphenyl)ethyl]isoquinoline-1-carboxamide?
N-[1-(2,4-dimethoxyphenyl)ethyl]isoquinoline-1-carboxamide has a molecular weight of 336.39 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dimethoxyphenyl)ethyl]isoquinoline-1-carboxamide is sourced from PubChem (CID 51128012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).