3-amino-N-isoquinolin-6-yl-2-(2-methylphenyl)propanamide

C19H19N3O — CID 127031536

IUPAC3-amino-N-isoquinolin-6-yl-2-(2-methylphenyl)propanamide
SMILESCc1ccccc1C(CN)C(=O)Nc1ccc2cnccc2c1
InChIInChI=1S/C19H19N3O/c1-13-4-2-3-5-17(13)18(11-20)19(23)22-16-7-6-15-12-21-9-8-14(15)10-16/h2-10,12,18H,11,20H2,1H3,(H,22,23)
InChIKeyHZJMZJLBFBXTOF-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.22
Rot. Bonds4

About 3-amino-N-isoquinolin-6-yl-2-(2-methylphenyl)propanamide

3-amino-N-isoquinolin-6-yl-2-(2-methylphenyl)propanamide (PubChem CID 127031536) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is 3-amino-N-isoquinolin-6-yl-2-(2-methylphenyl)propanamide.

Molecular Properties

Compound Name3-amino-N-isoquinolin-6-yl-2-(2-methylphenyl)propanamide
PubChem CID127031536
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC Name3-amino-N-isoquinolin-6-yl-2-(2-methylphenyl)propanamide
SMILESCc1ccccc1C(CN)C(=O)Nc1ccc2cnccc2c1
InChIInChI=1S/C19H19N3O/c1-13-4-2-3-5-17(13)18(11-20)19(23)22-16-7-6-15-12-21-9-8-14(15)10-16/h2-10,12,18H,11,20H2,1H3,(H,22,23)
InChIKeyHZJMZJLBFBXTOF-UHFFFAOYSA-N
XLogP3.22
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-amino-N-isoquinolin-6-yl-2-(2-methylphenyl)propanamide 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 3-amino-N-isoquinolin-6-yl-2-(2-methylphenyl)propanamide?
The IUPAC name of 3-amino-N-isoquinolin-6-yl-2-(2-methylphenyl)propanamide (CID 127031536) is 3-amino-N-isoquinolin-6-yl-2-(2-methylphenyl)propanamide.
What is the SMILES notation for 3-amino-N-isoquinolin-6-yl-2-(2-methylphenyl)propanamide?
The canonical SMILES for 3-amino-N-isoquinolin-6-yl-2-(2-methylphenyl)propanamide is Cc1ccccc1C(CN)C(=O)Nc1ccc2cnccc2c1.
What is the InChIKey of 3-amino-N-isoquinolin-6-yl-2-(2-methylphenyl)propanamide?
The InChIKey is HZJMZJLBFBXTOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O/c1-13-4-2-3-5-17(13)18(11-20)19(23)22-16-7-6-15-12-21-9-8-14(15)10-16/h2-10,12,18H,11,20H2,1H3,(H,22,23).
What are the key properties of 3-amino-N-isoquinolin-6-yl-2-(2-methylphenyl)propanamide?
3-amino-N-isoquinolin-6-yl-2-(2-methylphenyl)propanamide has a molecular weight of 305.38 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-isoquinolin-6-yl-2-(2-methylphenyl)propanamide is sourced from PubChem (CID 127031536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).