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

C14H21N3O — CID 117039998

IUPAC6-[[1-aminopropan-2-yl(methyl)amino]methyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCC(CN)N(C)Cc1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C14H21N3O/c1-10(8-15)17(2)9-11-3-5-13-12(7-11)4-6-14(18)16-13/h3,5,7,10H,4,6,8-9,15H2,1-2H3,(H,16,18)
InChIKeyUAGHPFZKKDLAPD-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.35
Rot. Bonds4

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

6-[[1-aminopropan-2-yl(methyl)amino]methyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 117039998) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 6-[[1-aminopropan-2-yl(methyl)amino]methyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[[1-aminopropan-2-yl(methyl)amino]methyl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID117039998
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name6-[[1-aminopropan-2-yl(methyl)amino]methyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCC(CN)N(C)Cc1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C14H21N3O/c1-10(8-15)17(2)9-11-3-5-13-12(7-11)4-6-14(18)16-13/h3,5,7,10H,4,6,8-9,15H2,1-2H3,(H,16,18)
InChIKeyUAGHPFZKKDLAPD-UHFFFAOYSA-N
XLogP1.35
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-[[1-aminopropan-2-yl(methyl)amino]methyl]-3,4-dihydro-1H-quinolin-2-one with MolForge

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Related Compounds

6-[2-[1-aminopropan-2-yl(methyl)amino]ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 117040127
6-[[4-aminobutyl(methyl)amino]methyl]-3,4-dihydro-1H-quinolin-2-one
CID 115201298
6-(2-aminopropyl)-3,4-dihydro-1H-quinolin-2-one
CID 82190762
2-hydroxy-N-methyl-N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]acetamide
CID 115139941
3-[methyl-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]amino]propanenitrile
CID 115230965
6-[(1-amino-3-methylbutan-2-yl)-methylamino]-3,4-dihydro-1H-quinolin-2-one
CID 115138025
6-[[(1-hydroxy-2-methylpropan-2-yl)-methylamino]methyl]-3,4-dihydro-1H-quinolin-2-one
CID 115133448
6-[(propan-2-ylamino)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 82285548
6-(3-aminopentyl)-3,4-dihydro-1H-quinolin-2-one
CID 82475336
5-[[(3-amino-2-hydroxypropyl)-methylamino]methyl]-1,3-dihydroindol-2-one
CID 115121496
6-[[methyl(pyrrolidin-3-yl)amino]methyl]-3,4-dihydro-1H-quinolin-2-one
CID 115118915
6-[2-(propan-2-ylamino)propyl]-3,4-dihydro-1H-quinolin-2-one
CID 82479600

Frequently Asked Questions

What is the IUPAC name of 6-[[1-aminopropan-2-yl(methyl)amino]methyl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[[1-aminopropan-2-yl(methyl)amino]methyl]-3,4-dihydro-1H-quinolin-2-one (CID 117039998) is 6-[[1-aminopropan-2-yl(methyl)amino]methyl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[[1-aminopropan-2-yl(methyl)amino]methyl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[[1-aminopropan-2-yl(methyl)amino]methyl]-3,4-dihydro-1H-quinolin-2-one is CC(CN)N(C)Cc1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of 6-[[1-aminopropan-2-yl(methyl)amino]methyl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is UAGHPFZKKDLAPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-10(8-15)17(2)9-11-3-5-13-12(7-11)4-6-14(18)16-13/h3,5,7,10H,4,6,8-9,15H2,1-2H3,(H,16,18).
What are the key properties of 6-[[1-aminopropan-2-yl(methyl)amino]methyl]-3,4-dihydro-1H-quinolin-2-one?
6-[[1-aminopropan-2-yl(methyl)amino]methyl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 247.34 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-aminopropan-2-yl(methyl)amino]methyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 117039998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).