2-[(7-hydroxyisoquinolin-1-yl)amino]-N-(2-methylpropyl)propanamide

C16H21N3O2 — CID 106539409

IUPAC2-[(7-hydroxyisoquinolin-1-yl)amino]-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)C(C)Nc1nccc2ccc(O)cc12
InChIInChI=1S/C16H21N3O2/c1-10(2)9-18-16(21)11(3)19-15-14-8-13(20)5-4-12(14)6-7-17-15/h4-8,10-11,20H,9H2,1-3H3,(H,17,19)(H,18,21)
InChIKeyGZVRUSJDZAFQNY-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.51
Rot. Bonds5

About 2-[(7-hydroxyisoquinolin-1-yl)amino]-N-(2-methylpropyl)propanamide

2-[(7-hydroxyisoquinolin-1-yl)amino]-N-(2-methylpropyl)propanamide (PubChem CID 106539409) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-[(7-hydroxyisoquinolin-1-yl)amino]-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name2-[(7-hydroxyisoquinolin-1-yl)amino]-N-(2-methylpropyl)propanamide
PubChem CID106539409
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name2-[(7-hydroxyisoquinolin-1-yl)amino]-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)C(C)Nc1nccc2ccc(O)cc12
InChIInChI=1S/C16H21N3O2/c1-10(2)9-18-16(21)11(3)19-15-14-8-13(20)5-4-12(14)6-7-17-15/h4-8,10-11,20H,9H2,1-3H3,(H,17,19)(H,18,21)
InChIKeyGZVRUSJDZAFQNY-UHFFFAOYSA-N
XLogP2.51
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[(7-hydroxyisoquinolin-1-yl)amino]-N-(2-methylpropyl)propanamide 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

ethyl 2-[(7-hydroxyisoquinolin-1-yl)amino]propanoate
CID 106538103
N-ethyl-2-[(7-hydroxyisoquinolin-1-yl)amino]-N-methylpropanamide
CID 106540035
2-[(7-hydroxyisoquinolin-1-yl)amino]-3-methylbutanoic acid
CID 106536074
methyl 2-[(7-hydroxyisoquinolin-1-yl)amino]-4-methylpentanoate
CID 106536076
1-[(4-bromo-3-methylbutan-2-yl)amino]isoquinolin-7-ol
CID 106543097
2-[(7-hydroxyisoquinolin-1-yl)amino]propane-1,3-diol
CID 106538911
1-(1-morpholin-4-ylpropan-2-ylamino)isoquinolin-7-ol
CID 106538109
1-(4-methylsulfinylbutan-2-ylamino)isoquinolin-7-ol
CID 106539731
1-(1-cyclobutylethylamino)isoquinolin-7-ol
CID 106539803
1-[1-(4-chlorophenyl)ethylamino]isoquinolin-7-ol
CID 106538116
5-[(7-hydroxyisoquinolin-1-yl)amino]-4-methylpentanoic acid
CID 106536456
2-[(7-hydroxyisoquinolin-1-yl)amino]hexanoic acid
CID 106535962

Frequently Asked Questions

What is the IUPAC name of 2-[(7-hydroxyisoquinolin-1-yl)amino]-N-(2-methylpropyl)propanamide?
The IUPAC name of 2-[(7-hydroxyisoquinolin-1-yl)amino]-N-(2-methylpropyl)propanamide (CID 106539409) is 2-[(7-hydroxyisoquinolin-1-yl)amino]-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 2-[(7-hydroxyisoquinolin-1-yl)amino]-N-(2-methylpropyl)propanamide?
The canonical SMILES for 2-[(7-hydroxyisoquinolin-1-yl)amino]-N-(2-methylpropyl)propanamide is CC(C)CNC(=O)C(C)Nc1nccc2ccc(O)cc12.
What is the InChIKey of 2-[(7-hydroxyisoquinolin-1-yl)amino]-N-(2-methylpropyl)propanamide?
The InChIKey is GZVRUSJDZAFQNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-10(2)9-18-16(21)11(3)19-15-14-8-13(20)5-4-12(14)6-7-17-15/h4-8,10-11,20H,9H2,1-3H3,(H,17,19)(H,18,21).
What are the key properties of 2-[(7-hydroxyisoquinolin-1-yl)amino]-N-(2-methylpropyl)propanamide?
2-[(7-hydroxyisoquinolin-1-yl)amino]-N-(2-methylpropyl)propanamide has a molecular weight of 287.36 g/mol, XLogP of 2.51, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-hydroxyisoquinolin-1-yl)amino]-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 106539409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).