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

C14H17N3O — CID 115230965

IUPAC3-[methyl-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]amino]propanenitrile
SMILESCN(CCC#N)Cc1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C14H17N3O/c1-17(8-2-7-15)10-11-3-5-13-12(9-11)4-6-14(18)16-13/h3,5,9H,2,4,6,8,10H2,1H3,(H,16,18)
InChIKeyFHLZIRPFVPVQNH-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.92
Rot. Bonds4

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

3-[methyl-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]amino]propanenitrile (PubChem CID 115230965) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 3-[methyl-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]amino]propanenitrile.

Molecular Properties

Compound Name3-[methyl-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]amino]propanenitrile
PubChem CID115230965
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name3-[methyl-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]amino]propanenitrile
SMILESCN(CCC#N)Cc1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C14H17N3O/c1-17(8-2-7-15)10-11-3-5-13-12(9-11)4-6-14(18)16-13/h3,5,9H,2,4,6,8,10H2,1H3,(H,16,18)
InChIKeyFHLZIRPFVPVQNH-UHFFFAOYSA-N
XLogP1.92
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyano-N-methyl-N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]acetamide
CID 115173172
6-[[4-aminobutyl(methyl)amino]methyl]-3,4-dihydro-1H-quinolin-2-one
CID 115201298
4-[methyl-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]butanenitrile
CID 115231559
3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methylamino]propanenitrile
CID 115230866
2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methylamino]acetonitrile
CID 115130975
6-[[1-aminopropan-2-yl(methyl)amino]methyl]-3,4-dihydro-1H-quinolin-2-one
CID 117039998
2-hydroxy-N-methyl-N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]acetamide
CID 115139941
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
6-[[methyl(pyrrolidin-3-yl)amino]methyl]-3,4-dihydro-1H-quinolin-2-one
CID 115118915
2-hydroxy-N-methyl-N-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]acetamide
CID 115140170
4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]butanenitrile
CID 115231431

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]amino]propanenitrile?
The IUPAC name of 3-[methyl-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]amino]propanenitrile (CID 115230965) is 3-[methyl-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]amino]propanenitrile.
What is the SMILES notation for 3-[methyl-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]amino]propanenitrile?
The canonical SMILES for 3-[methyl-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]amino]propanenitrile is CN(CCC#N)Cc1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of 3-[methyl-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]amino]propanenitrile?
The InChIKey is FHLZIRPFVPVQNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-17(8-2-7-15)10-11-3-5-13-12(9-11)4-6-14(18)16-13/h3,5,9H,2,4,6,8,10H2,1H3,(H,16,18).
What are the key properties of 3-[methyl-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]amino]propanenitrile?
3-[methyl-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]amino]propanenitrile has a molecular weight of 243.31 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]amino]propanenitrile is sourced from PubChem (CID 115230965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).