1-(3-isoquinolin-4-yl-2-methylpropanoyl)-3,4-dihydro-2H-quinoline-5-carboxamide

C23H23N3O2 — CID 154779553

IUPAC1-(3-isoquinolin-4-yl-2-methylpropanoyl)-3,4-dihydro-2H-quinoline-5-carboxamide
SMILESCC(Cc1cncc2ccccc12)C(=O)N1CCCc2c(C(N)=O)cccc21
InChIInChI=1S/C23H23N3O2/c1-15(12-17-14-25-13-16-6-2-3-7-18(16)17)23(28)26-11-5-9-19-20(22(24)27)8-4-10-21(19)26/h2-4,6-8,10,13-15H,5,9,11-12H2,1H3,(H2,24,27)
InChIKeyALOVIHLOAUFPKG-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.49
Rot. Bonds4

About 1-(3-isoquinolin-4-yl-2-methylpropanoyl)-3,4-dihydro-2H-quinoline-5-carboxamide

1-(3-isoquinolin-4-yl-2-methylpropanoyl)-3,4-dihydro-2H-quinoline-5-carboxamide (PubChem CID 154779553) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is 1-(3-isoquinolin-4-yl-2-methylpropanoyl)-3,4-dihydro-2H-quinoline-5-carboxamide.

Molecular Properties

Compound Name1-(3-isoquinolin-4-yl-2-methylpropanoyl)-3,4-dihydro-2H-quinoline-5-carboxamide
PubChem CID154779553
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC Name1-(3-isoquinolin-4-yl-2-methylpropanoyl)-3,4-dihydro-2H-quinoline-5-carboxamide
SMILESCC(Cc1cncc2ccccc12)C(=O)N1CCCc2c(C(N)=O)cccc21
InChIInChI=1S/C23H23N3O2/c1-15(12-17-14-25-13-16-6-2-3-7-18(16)17)23(28)26-11-5-9-19-20(22(24)27)8-4-10-21(19)26/h2-4,6-8,10,13-15H,5,9,11-12H2,1H3,(H2,24,27)
InChIKeyALOVIHLOAUFPKG-UHFFFAOYSA-N
XLogP3.49
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-isoquinolin-4-yl-2-methylpropanoyl)-3,4-dihydro-2H-quinoline-5-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-isoquinolin-4-yl-2-methylpropanoyl)-3,4-dihydro-2H-quinoline-5-carboxamide?
The IUPAC name of 1-(3-isoquinolin-4-yl-2-methylpropanoyl)-3,4-dihydro-2H-quinoline-5-carboxamide (CID 154779553) is 1-(3-isoquinolin-4-yl-2-methylpropanoyl)-3,4-dihydro-2H-quinoline-5-carboxamide.
What is the SMILES notation for 1-(3-isoquinolin-4-yl-2-methylpropanoyl)-3,4-dihydro-2H-quinoline-5-carboxamide?
The canonical SMILES for 1-(3-isoquinolin-4-yl-2-methylpropanoyl)-3,4-dihydro-2H-quinoline-5-carboxamide is CC(Cc1cncc2ccccc12)C(=O)N1CCCc2c(C(N)=O)cccc21.
What is the InChIKey of 1-(3-isoquinolin-4-yl-2-methylpropanoyl)-3,4-dihydro-2H-quinoline-5-carboxamide?
The InChIKey is ALOVIHLOAUFPKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2/c1-15(12-17-14-25-13-16-6-2-3-7-18(16)17)23(28)26-11-5-9-19-20(22(24)27)8-4-10-21(19)26/h2-4,6-8,10,13-15H,5,9,11-12H2,1H3,(H2,24,27).
What are the key properties of 1-(3-isoquinolin-4-yl-2-methylpropanoyl)-3,4-dihydro-2H-quinoline-5-carboxamide?
1-(3-isoquinolin-4-yl-2-methylpropanoyl)-3,4-dihydro-2H-quinoline-5-carboxamide has a molecular weight of 373.46 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-isoquinolin-4-yl-2-methylpropanoyl)-3,4-dihydro-2H-quinoline-5-carboxamide is sourced from PubChem (CID 154779553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).