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

C13H19N3O — CID 82496165

IUPAC6-[3-aminopropyl(methyl)amino]-3,4-dihydro-1H-quinolin-2-one
SMILESCN(CCCN)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C13H19N3O/c1-16(8-2-7-14)11-4-5-12-10(9-11)3-6-13(17)15-12/h4-5,9H,2-3,6-8,14H2,1H3,(H,15,17)
InChIKeyTVPMOSOKCPBAAJ-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.36
Rot. Bonds4

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

6-[3-aminopropyl(methyl)amino]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 82496165) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 6-[3-aminopropyl(methyl)amino]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[3-aminopropyl(methyl)amino]-3,4-dihydro-1H-quinolin-2-one
PubChem CID82496165
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name6-[3-aminopropyl(methyl)amino]-3,4-dihydro-1H-quinolin-2-one
SMILESCN(CCCN)c1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C13H19N3O/c1-16(8-2-7-14)11-4-5-12-10(9-11)3-6-13(17)15-12/h4-5,9H,2-3,6-8,14H2,1H3,(H,15,17)
InChIKeyTVPMOSOKCPBAAJ-UHFFFAOYSA-N
XLogP1.36
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

6-[2-aminoethyl(methyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 82493883
5-[3-aminopropyl(methyl)amino]-1,3-dihydroindol-2-one
CID 82493886
6-[methyl(3-sulfanylpropyl)amino]-3,4-dihydro-1H-quinolin-2-one
CID 115224727
4-[methyl-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]butanoic acid
CID 115218529
5-[4-aminobutyl(methyl)amino]-1,3-dihydroindol-2-one
CID 115201098
4-[methyl-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]butanenitrile
CID 115231559
6-[[4-aminobutyl(methyl)amino]methyl]-3,4-dihydro-1H-quinolin-2-one
CID 115201298
methyl 3-[methyl-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]propanoate
CID 115232296
3-amino-N-methyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)propanamide
CID 82498531
ethyl 2-[methyl-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]acetate
CID 115257291
6-[(1-amino-3-methylbutan-2-yl)-methylamino]-3,4-dihydro-1H-quinolin-2-one
CID 115138025
6-(3-aminopropylsulfonyl)-3,4-dihydro-1H-quinolin-2-one
CID 116853259

Frequently Asked Questions

What is the IUPAC name of 6-[3-aminopropyl(methyl)amino]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[3-aminopropyl(methyl)amino]-3,4-dihydro-1H-quinolin-2-one (CID 82496165) is 6-[3-aminopropyl(methyl)amino]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[3-aminopropyl(methyl)amino]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[3-aminopropyl(methyl)amino]-3,4-dihydro-1H-quinolin-2-one is CN(CCCN)c1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of 6-[3-aminopropyl(methyl)amino]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is TVPMOSOKCPBAAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-16(8-2-7-14)11-4-5-12-10(9-11)3-6-13(17)15-12/h4-5,9H,2-3,6-8,14H2,1H3,(H,15,17).
What are the key properties of 6-[3-aminopropyl(methyl)amino]-3,4-dihydro-1H-quinolin-2-one?
6-[3-aminopropyl(methyl)amino]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 233.31 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-aminopropyl(methyl)amino]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 82496165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).