3-[methyl-[[2-(propylamino)quinolin-3-yl]methyl]amino]propanenitrile

C17H22N4 — CID 62177689

IUPAC3-[methyl-[[2-(propylamino)quinolin-3-yl]methyl]amino]propanenitrile
SMILESCCCNc1nc2ccccc2cc1CN(C)CCC#N
InChIInChI=1S/C17H22N4/c1-3-10-19-17-15(13-21(2)11-6-9-18)12-14-7-4-5-8-16(14)20-17/h4-5,7-8,12H,3,6,10-11,13H2,1-2H3,(H,19,20)
InChIKeyJLSPFFDUBGCOEB-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.40
Rot. Bonds7

About 3-[methyl-[[2-(propylamino)quinolin-3-yl]methyl]amino]propanenitrile

3-[methyl-[[2-(propylamino)quinolin-3-yl]methyl]amino]propanenitrile (PubChem CID 62177689) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is 3-[methyl-[[2-(propylamino)quinolin-3-yl]methyl]amino]propanenitrile.

Molecular Properties

Compound Name3-[methyl-[[2-(propylamino)quinolin-3-yl]methyl]amino]propanenitrile
PubChem CID62177689
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC Name3-[methyl-[[2-(propylamino)quinolin-3-yl]methyl]amino]propanenitrile
SMILESCCCNc1nc2ccccc2cc1CN(C)CCC#N
InChIInChI=1S/C17H22N4/c1-3-10-19-17-15(13-21(2)11-6-9-18)12-14-7-4-5-8-16(14)20-17/h4-5,7-8,12H,3,6,10-11,13H2,1-2H3,(H,19,20)
InChIKeyJLSPFFDUBGCOEB-UHFFFAOYSA-N
XLogP3.40
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[[2-(propylamino)quinolin-3-yl]methyl]amino]propanenitrile?
The IUPAC name of 3-[methyl-[[2-(propylamino)quinolin-3-yl]methyl]amino]propanenitrile (CID 62177689) is 3-[methyl-[[2-(propylamino)quinolin-3-yl]methyl]amino]propanenitrile.
What is the SMILES notation for 3-[methyl-[[2-(propylamino)quinolin-3-yl]methyl]amino]propanenitrile?
The canonical SMILES for 3-[methyl-[[2-(propylamino)quinolin-3-yl]methyl]amino]propanenitrile is CCCNc1nc2ccccc2cc1CN(C)CCC#N.
What is the InChIKey of 3-[methyl-[[2-(propylamino)quinolin-3-yl]methyl]amino]propanenitrile?
The InChIKey is JLSPFFDUBGCOEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-3-10-19-17-15(13-21(2)11-6-9-18)12-14-7-4-5-8-16(14)20-17/h4-5,7-8,12H,3,6,10-11,13H2,1-2H3,(H,19,20).
What are the key properties of 3-[methyl-[[2-(propylamino)quinolin-3-yl]methyl]amino]propanenitrile?
3-[methyl-[[2-(propylamino)quinolin-3-yl]methyl]amino]propanenitrile has a molecular weight of 282.39 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[[2-(propylamino)quinolin-3-yl]methyl]amino]propanenitrile is sourced from PubChem (CID 62177689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).