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

C15H21N3O — CID 115118915

IUPAC6-[[methyl(pyrrolidin-3-yl)amino]methyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCN(Cc1ccc2c(c1)CCC(=O)N2)C1CCNC1
InChIInChI=1S/C15H21N3O/c1-18(13-6-7-16-9-13)10-11-2-4-14-12(8-11)3-5-15(19)17-14/h2,4,8,13,16H,3,5-7,9-10H2,1H3,(H,17,19)
InChIKeyFXSOXFHXRNOABZ-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.37
Rot. Bonds3

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

6-[[methyl(pyrrolidin-3-yl)amino]methyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 115118915) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 6-[[methyl(pyrrolidin-3-yl)amino]methyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[[methyl(pyrrolidin-3-yl)amino]methyl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID115118915
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name6-[[methyl(pyrrolidin-3-yl)amino]methyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCN(Cc1ccc2c(c1)CCC(=O)N2)C1CCNC1
InChIInChI=1S/C15H21N3O/c1-18(13-6-7-16-9-13)10-11-2-4-14-12(8-11)3-5-15(19)17-14/h2,4,8,13,16H,3,5-7,9-10H2,1H3,(H,17,19)
InChIKeyFXSOXFHXRNOABZ-UHFFFAOYSA-N
XLogP1.37
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(pyrrolidin-3-ylamino)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 115118827
6-(piperidin-4-ylmethyl)-3,4-dihydro-1H-quinolin-2-one
CID 82232043
3-[6-[[methyl-[(3S)-pyrrolidin-3-yl]amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167735068
2-hydroxy-N-methyl-N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]acetamide
CID 115139941
6-(2-piperidin-4-ylethyl)-3,4-dihydro-1H-quinolin-2-one
CID 116925681
6-[[4-aminobutyl(methyl)amino]methyl]-3,4-dihydro-1H-quinolin-2-one
CID 115201298
3-[methyl-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]amino]propanenitrile
CID 115230965
6-[[1-aminopropan-2-yl(methyl)amino]methyl]-3,4-dihydro-1H-quinolin-2-one
CID 117039998
N-methyl-4-(2-oxo-1,3-dihydroindol-5-yl)-N-pyrrolidin-3-ylbutanamide
CID 119552860
6-[[(1-hydroxy-2-methylpropan-2-yl)-methylamino]methyl]-3,4-dihydro-1H-quinolin-2-one
CID 115133448
2-cyano-N-methyl-N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]acetamide
CID 115173172
6-(morpholin-2-ylmethyl)-3,4-dihydro-1H-quinolin-2-one
CID 116927838

Frequently Asked Questions

What is the IUPAC name of 6-[[methyl(pyrrolidin-3-yl)amino]methyl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[[methyl(pyrrolidin-3-yl)amino]methyl]-3,4-dihydro-1H-quinolin-2-one (CID 115118915) is 6-[[methyl(pyrrolidin-3-yl)amino]methyl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[[methyl(pyrrolidin-3-yl)amino]methyl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[[methyl(pyrrolidin-3-yl)amino]methyl]-3,4-dihydro-1H-quinolin-2-one is CN(Cc1ccc2c(c1)CCC(=O)N2)C1CCNC1.
What is the InChIKey of 6-[[methyl(pyrrolidin-3-yl)amino]methyl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is FXSOXFHXRNOABZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-18(13-6-7-16-9-13)10-11-2-4-14-12(8-11)3-5-15(19)17-14/h2,4,8,13,16H,3,5-7,9-10H2,1H3,(H,17,19).
What are the key properties of 6-[[methyl(pyrrolidin-3-yl)amino]methyl]-3,4-dihydro-1H-quinolin-2-one?
6-[[methyl(pyrrolidin-3-yl)amino]methyl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 259.35 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[methyl(pyrrolidin-3-yl)amino]methyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 115118915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).