N-(3,4-dihydroxy-4-isoquinolin-8-ylbutyl)acetamide

C15H18N2O3 — CID 171883274

IUPACN-(3,4-dihydroxy-4-isoquinolin-8-ylbutyl)acetamide
SMILESCC(=O)NCCC(O)C(O)c1cccc2ccncc12
InChIInChI=1S/C15H18N2O3/c1-10(18)17-8-6-14(19)15(20)12-4-2-3-11-5-7-16-9-13(11)12/h2-5,7,9,14-15,19-20H,6,8H2,1H3,(H,17,18)
InChIKeyIRHRAXJJRZMOAR-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.16
Rot. Bonds5

About N-(3,4-dihydroxy-4-isoquinolin-8-ylbutyl)acetamide

N-(3,4-dihydroxy-4-isoquinolin-8-ylbutyl)acetamide (PubChem CID 171883274) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-(3,4-dihydroxy-4-isoquinolin-8-ylbutyl)acetamide.

Molecular Properties

Compound NameN-(3,4-dihydroxy-4-isoquinolin-8-ylbutyl)acetamide
PubChem CID171883274
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC NameN-(3,4-dihydroxy-4-isoquinolin-8-ylbutyl)acetamide
SMILESCC(=O)NCCC(O)C(O)c1cccc2ccncc12
InChIInChI=1S/C15H18N2O3/c1-10(18)17-8-6-14(19)15(20)12-4-2-3-11-5-7-16-9-13(11)12/h2-5,7,9,14-15,19-20H,6,8H2,1H3,(H,17,18)
InChIKeyIRHRAXJJRZMOAR-UHFFFAOYSA-N
XLogP1.16
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-(3,4-dihydroxy-4-isoquinolin-8-ylbutyl)acetamide 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

S-(3,4-dihydroxy-4-isoquinolin-8-ylbutyl) ethanethioate
CID 171876109
N-[3,4-dihydroxy-4-(4-methyl-3-pyridinyl)butyl]acetamide
CID 171882544
ethyl 3,4-dihydroxy-4-isoquinolin-8-ylbutanoate
CID 171897607
ethyl 2,3-dihydroxy-3-isoquinolin-8-ylpropanoate
CID 171866326
N-[4-(2-amino-3-pyridinyl)-3,4-dihydroxybutyl]acetamide
CID 171882497
1-isoquinolin-8-yl-2-methylpentan-1-ol
CID 103139250
N-[4-(2-acetylphenyl)-3,4-dihydroxybutyl]acetamide
CID 171883001
4-bromo-1-isoquinolin-5-ylbutane-1,2-diol
CID 171892229
4-(4-acetamido-1,2-dihydroxybutyl)-1-benzothiophene-2-carboxylic acid
CID 171883852
N-[4-(2,6-dihydroxyphenyl)-3,4-dihydroxybutyl]acetamide
CID 171882639
1-isoquinolin-8-ylpentan-1-ol
CID 103138987
1-isoquinolin-5-yl-3-(methylamino)propane-1,2-diol
CID 171858165

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydroxy-4-isoquinolin-8-ylbutyl)acetamide?
The IUPAC name of N-(3,4-dihydroxy-4-isoquinolin-8-ylbutyl)acetamide (CID 171883274) is N-(3,4-dihydroxy-4-isoquinolin-8-ylbutyl)acetamide.
What is the SMILES notation for N-(3,4-dihydroxy-4-isoquinolin-8-ylbutyl)acetamide?
The canonical SMILES for N-(3,4-dihydroxy-4-isoquinolin-8-ylbutyl)acetamide is CC(=O)NCCC(O)C(O)c1cccc2ccncc12.
What is the InChIKey of N-(3,4-dihydroxy-4-isoquinolin-8-ylbutyl)acetamide?
The InChIKey is IRHRAXJJRZMOAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-10(18)17-8-6-14(19)15(20)12-4-2-3-11-5-7-16-9-13(11)12/h2-5,7,9,14-15,19-20H,6,8H2,1H3,(H,17,18).
What are the key properties of N-(3,4-dihydroxy-4-isoquinolin-8-ylbutyl)acetamide?
N-(3,4-dihydroxy-4-isoquinolin-8-ylbutyl)acetamide has a molecular weight of 274.32 g/mol, XLogP of 1.16, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydroxy-4-isoquinolin-8-ylbutyl)acetamide is sourced from PubChem (CID 171883274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).