1-methoxy-N-[2-(3-methylphenyl)ethyl]isoquinoline-3-carboxamide

C20H20N2O2 — CID 60611737

IUPAC1-methoxy-N-[2-(3-methylphenyl)ethyl]isoquinoline-3-carboxamide
SMILESCOc1nc(C(=O)NCCc2cccc(C)c2)cc2ccccc12
InChIInChI=1S/C20H20N2O2/c1-14-6-5-7-15(12-14)10-11-21-19(23)18-13-16-8-3-4-9-17(16)20(22-18)24-2/h3-9,12-13H,10-11H2,1-2H3,(H,21,23)
InChIKeyLUEFAKSYUHNLDR-UHFFFAOYSA-N
MW320.39 g/mol
LogP3.52
Rot. Bonds5

About 1-methoxy-N-[2-(3-methylphenyl)ethyl]isoquinoline-3-carboxamide

1-methoxy-N-[2-(3-methylphenyl)ethyl]isoquinoline-3-carboxamide (PubChem CID 60611737) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 1-methoxy-N-[2-(3-methylphenyl)ethyl]isoquinoline-3-carboxamide.

Molecular Properties

Compound Name1-methoxy-N-[2-(3-methylphenyl)ethyl]isoquinoline-3-carboxamide
PubChem CID60611737
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name1-methoxy-N-[2-(3-methylphenyl)ethyl]isoquinoline-3-carboxamide
SMILESCOc1nc(C(=O)NCCc2cccc(C)c2)cc2ccccc12
InChIInChI=1S/C20H20N2O2/c1-14-6-5-7-15(12-14)10-11-21-19(23)18-13-16-8-3-4-9-17(16)20(22-18)24-2/h3-9,12-13H,10-11H2,1-2H3,(H,21,23)
InChIKeyLUEFAKSYUHNLDR-UHFFFAOYSA-N
XLogP3.52
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-methoxy-N-[2-(3-methylphenyl)ethyl]isoquinoline-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

4-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]-N-[2-(3-methylphenyl)ethyl]benzamide
CID 86875243
methyl 2-[(1-methoxyisoquinoline-3-carbonyl)amino]-5-methylbenzoate
CID 71936390
6-methoxy-N-(2-phenylethyl)pyridine-2-carboxamide
CID 84581484
2-N-[(3-methylphenyl)methyl]-4-N-(2-phenylethyl)pyridine-2,4-dicarboxamide
CID 109085771
2-(benzylamino)-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109327090
2-(3,5-dimethylanilino)-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109331064
3-hydroxy-N-[2-(3-methylphenyl)ethyl]benzamide
CID 62313945
2-[(1-methoxyisoquinoline-3-carbonyl)amino]propanediamide
CID 56820586
5-(methylamino)-N-[2-(3-methylphenyl)ethyl]pyridine-2-carboxamide
CID 104641105
2-(3-methoxyanilino)-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109331076
2-bromo-N-[2-(3-methylphenyl)ethyl]benzamide
CID 62315224
2-(2-methoxyphenoxy)-N-[2-(3-methylphenyl)ethyl]acetamide
CID 110288618

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-N-[2-(3-methylphenyl)ethyl]isoquinoline-3-carboxamide?
The IUPAC name of 1-methoxy-N-[2-(3-methylphenyl)ethyl]isoquinoline-3-carboxamide (CID 60611737) is 1-methoxy-N-[2-(3-methylphenyl)ethyl]isoquinoline-3-carboxamide.
What is the SMILES notation for 1-methoxy-N-[2-(3-methylphenyl)ethyl]isoquinoline-3-carboxamide?
The canonical SMILES for 1-methoxy-N-[2-(3-methylphenyl)ethyl]isoquinoline-3-carboxamide is COc1nc(C(=O)NCCc2cccc(C)c2)cc2ccccc12.
What is the InChIKey of 1-methoxy-N-[2-(3-methylphenyl)ethyl]isoquinoline-3-carboxamide?
The InChIKey is LUEFAKSYUHNLDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-14-6-5-7-15(12-14)10-11-21-19(23)18-13-16-8-3-4-9-17(16)20(22-18)24-2/h3-9,12-13H,10-11H2,1-2H3,(H,21,23).
What are the key properties of 1-methoxy-N-[2-(3-methylphenyl)ethyl]isoquinoline-3-carboxamide?
1-methoxy-N-[2-(3-methylphenyl)ethyl]isoquinoline-3-carboxamide has a molecular weight of 320.39 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-N-[2-(3-methylphenyl)ethyl]isoquinoline-3-carboxamide is sourced from PubChem (CID 60611737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).