6-[[4-aminobutyl(methyl)amino]methyl]-3,4-dihydro-1H-quinolin-2-one

C15H23N3O — CID 115201298

IUPAC6-[[4-aminobutyl(methyl)amino]methyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCN(CCCCN)Cc1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C15H23N3O/c1-18(9-3-2-8-16)11-12-4-6-14-13(10-12)5-7-15(19)17-14/h4,6,10H,2-3,5,7-9,11,16H2,1H3,(H,17,19)
InChIKeyOBSWQKWYAVQKBJ-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.74
Rot. Bonds6

About 6-[[4-aminobutyl(methyl)amino]methyl]-3,4-dihydro-1H-quinolin-2-one

6-[[4-aminobutyl(methyl)amino]methyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 115201298) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 6-[[4-aminobutyl(methyl)amino]methyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[[4-aminobutyl(methyl)amino]methyl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID115201298
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name6-[[4-aminobutyl(methyl)amino]methyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCN(CCCCN)Cc1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C15H23N3O/c1-18(9-3-2-8-16)11-12-4-6-14-13(10-12)5-7-15(19)17-14/h4,6,10H,2-3,5,7-9,11,16H2,1H3,(H,17,19)
InChIKeyOBSWQKWYAVQKBJ-UHFFFAOYSA-N
XLogP1.74
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-[[4-aminobutyl(methyl)amino]methyl]-3,4-dihydro-1H-quinolin-2-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

6-[[1-aminopropan-2-yl(methyl)amino]methyl]-3,4-dihydro-1H-quinolin-2-one
CID 117039998
3-[methyl-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]amino]propanenitrile
CID 115230965
6-[3-aminopropyl(methyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 82496165
6-[2-aminoethyl(methyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 82493883
2-hydroxy-N-methyl-N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]acetamide
CID 115139941
6-[2-[1-aminopropan-2-yl(methyl)amino]ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 117040127
6-[[(1-hydroxy-2-methylpropan-2-yl)-methylamino]methyl]-3,4-dihydro-1H-quinolin-2-one
CID 115133448
methyl-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]carbamic acid
CID 115171257
4-amino-N-methyl-N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]butanamide
CID 115155349
6-[[methyl(pyrrolidin-3-yl)amino]methyl]-3,4-dihydro-1H-quinolin-2-one
CID 115118915
6-(2-aminopropyl)-3,4-dihydro-1H-quinolin-2-one
CID 82190762
6-(3-aminopropylsulfonyl)-3,4-dihydro-1H-quinolin-2-one
CID 116853259

Frequently Asked Questions

What is the IUPAC name of 6-[[4-aminobutyl(methyl)amino]methyl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[[4-aminobutyl(methyl)amino]methyl]-3,4-dihydro-1H-quinolin-2-one (CID 115201298) is 6-[[4-aminobutyl(methyl)amino]methyl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[[4-aminobutyl(methyl)amino]methyl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[[4-aminobutyl(methyl)amino]methyl]-3,4-dihydro-1H-quinolin-2-one is CN(CCCCN)Cc1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of 6-[[4-aminobutyl(methyl)amino]methyl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is OBSWQKWYAVQKBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-18(9-3-2-8-16)11-12-4-6-14-13(10-12)5-7-15(19)17-14/h4,6,10H,2-3,5,7-9,11,16H2,1H3,(H,17,19).
What are the key properties of 6-[[4-aminobutyl(methyl)amino]methyl]-3,4-dihydro-1H-quinolin-2-one?
6-[[4-aminobutyl(methyl)amino]methyl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 261.37 g/mol, XLogP of 1.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-aminobutyl(methyl)amino]methyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 115201298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).