2-nonyl-3,4-dihydroisoquinolin-1-one

C18H27NO — CID 104501189

IUPAC2-nonyl-3,4-dihydroisoquinolin-1-one
SMILESCCCCCCCCCN1CCc2ccccc2C1=O
InChIInChI=1S/C18H27NO/c1-2-3-4-5-6-7-10-14-19-15-13-16-11-8-9-12-17(16)18(19)20/h8-9,11-12H,2-7,10,13-15H2,1H3
InChIKeyKAZGDGRVKXXLJK-UHFFFAOYSA-N
MW273.42 g/mol
LogP4.44
Rot. Bonds8

About 2-nonyl-3,4-dihydroisoquinolin-1-one

2-nonyl-3,4-dihydroisoquinolin-1-one (PubChem CID 104501189) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is 2-nonyl-3,4-dihydroisoquinolin-1-one.

Molecular Properties

Compound Name2-nonyl-3,4-dihydroisoquinolin-1-one
PubChem CID104501189
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name2-nonyl-3,4-dihydroisoquinolin-1-one
SMILESCCCCCCCCCN1CCc2ccccc2C1=O
InChIInChI=1S/C18H27NO/c1-2-3-4-5-6-7-10-14-19-15-13-16-11-8-9-12-17(16)18(19)20/h8-9,11-12H,2-7,10,13-15H2,1H3
InChIKeyKAZGDGRVKXXLJK-UHFFFAOYSA-N
XLogP4.44
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-nonyl-3,4-dihydroisoquinolin-1-one 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

2-nonyl-3H-isoindol-1-one
CID 132543397
2-(4,4-dimethylpentyl)-3,4-dihydroisoquinolin-1-one
CID 114210266
1-methylidene-2-pentyl-3,4-dihydroisoquinoline
CID 67896965
2-(3-pyrrolidin-1-ylpropyl)-3,4-dihydroisoquinolin-1-one
CID 115773441
2-[2-(4-methylpiperazin-1-yl)ethyl]-3,4-dihydroisoquinolin-1-one
CID 115873461
2-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]-3,4-dihydroisoquinolin-1-one
CID 44582187
2-(2-piperidin-1-ylethyl)-3,4-dihydroisoquinolin-1-one
CID 115773461
2-(2-methylpropyl)-3,4-dihydroisoquinolin-1-one
CID 20772326
2-(3-bromopropyl)-4,5-dihydro-3H-2-benzazepin-1-one
CID 104525155
propane;2-prop-2-enyl-3,4-dihydroisoquinolin-1-one
CID 91165098
2-[2-(1-oxo-3,4-dihydroisoquinolin-2-yl)ethoxy]acetic acid
CID 83084684
2-(5-aminohexyl)-4,5-dihydro-3H-2-benzazepin-1-one
CID 104525195

Frequently Asked Questions

What is the IUPAC name of 2-nonyl-3,4-dihydroisoquinolin-1-one?
The IUPAC name of 2-nonyl-3,4-dihydroisoquinolin-1-one (CID 104501189) is 2-nonyl-3,4-dihydroisoquinolin-1-one.
What is the SMILES notation for 2-nonyl-3,4-dihydroisoquinolin-1-one?
The canonical SMILES for 2-nonyl-3,4-dihydroisoquinolin-1-one is CCCCCCCCCN1CCc2ccccc2C1=O.
What is the InChIKey of 2-nonyl-3,4-dihydroisoquinolin-1-one?
The InChIKey is KAZGDGRVKXXLJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-2-3-4-5-6-7-10-14-19-15-13-16-11-8-9-12-17(16)18(19)20/h8-9,11-12H,2-7,10,13-15H2,1H3.
What are the key properties of 2-nonyl-3,4-dihydroisoquinolin-1-one?
2-nonyl-3,4-dihydroisoquinolin-1-one has a molecular weight of 273.42 g/mol, XLogP of 4.44, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nonyl-3,4-dihydroisoquinolin-1-one is sourced from PubChem (CID 104501189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).