3-[methyl-[(2-methylquinolin-4-yl)methyl]amino]propanenitrile

C15H17N3 — CID 79235950

IUPAC3-[methyl-[(2-methylquinolin-4-yl)methyl]amino]propanenitrile
SMILESCc1cc(CN(C)CCC#N)c2ccccc2n1
InChIInChI=1S/C15H17N3/c1-12-10-13(11-18(2)9-5-8-16)14-6-3-4-7-15(14)17-12/h3-4,6-7,10H,5,9,11H2,1-2H3
InChIKeyQRXREELTGKJPSO-UHFFFAOYSA-N
MW239.32 g/mol
LogP2.89
Rot. Bonds4

About 3-[methyl-[(2-methylquinolin-4-yl)methyl]amino]propanenitrile

3-[methyl-[(2-methylquinolin-4-yl)methyl]amino]propanenitrile (PubChem CID 79235950) has the molecular formula C15H17N3 and a molecular weight of 239.32 g/mol. Its IUPAC name is 3-[methyl-[(2-methylquinolin-4-yl)methyl]amino]propanenitrile.

Molecular Properties

Compound Name3-[methyl-[(2-methylquinolin-4-yl)methyl]amino]propanenitrile
PubChem CID79235950
Molecular FormulaC15H17N3
Molecular Weight239.32 g/mol
Exact Mass239.14
IUPAC Name3-[methyl-[(2-methylquinolin-4-yl)methyl]amino]propanenitrile
SMILESCc1cc(CN(C)CCC#N)c2ccccc2n1
InChIInChI=1S/C15H17N3/c1-12-10-13(11-18(2)9-5-8-16)14-6-3-4-7-15(14)17-12/h3-4,6-7,10H,5,9,11H2,1-2H3
InChIKeyQRXREELTGKJPSO-UHFFFAOYSA-N
XLogP2.89
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-methoxyethyl-[(2-methylquinolin-4-yl)methyl]amino]propanenitrile
CID 79046293
3-[methyl-[(2-methylquinolin-4-yl)methyl]amino]butanenitrile
CID 79235555
3-[methyl-[[2-(methylamino)quinolin-3-yl]methyl]amino]propanenitrile
CID 62177687
3-[cyclopropyl-(2-methylquinolin-4-yl)amino]propanenitrile
CID 54997126
2-[carboxymethyl-[(2-methylquinolin-4-yl)methyl]amino]acetic acid
CID 79234105
3-[methyl-[[2-(propylamino)quinolin-3-yl]methyl]amino]propanenitrile
CID 62177689
2-(2-methylquinolin-4-yl)acetic acid
CID 79019861
2-[tert-butyl-[(2-methylquinolin-4-yl)methyl]amino]acetic acid
CID 79262765
3-methoxy-1-N-methyl-1-N-[(2-methylquinolin-4-yl)methyl]propane-1,2-diamine
CID 79240798
1-cyclopropyl-2-[methyl-[(2-methylquinolin-4-yl)methyl]amino]ethanol
CID 111858846
3-[methyl-[(3-oxobenzo[f]chromen-1-yl)methyl]amino]propanenitrile
CID 2020836
3-[methyl-[(2,4,5-trimethylphenyl)methyl]amino]propanenitrile
CID 115230986

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[(2-methylquinolin-4-yl)methyl]amino]propanenitrile?
The IUPAC name of 3-[methyl-[(2-methylquinolin-4-yl)methyl]amino]propanenitrile (CID 79235950) is 3-[methyl-[(2-methylquinolin-4-yl)methyl]amino]propanenitrile.
What is the SMILES notation for 3-[methyl-[(2-methylquinolin-4-yl)methyl]amino]propanenitrile?
The canonical SMILES for 3-[methyl-[(2-methylquinolin-4-yl)methyl]amino]propanenitrile is Cc1cc(CN(C)CCC#N)c2ccccc2n1.
What is the InChIKey of 3-[methyl-[(2-methylquinolin-4-yl)methyl]amino]propanenitrile?
The InChIKey is QRXREELTGKJPSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3/c1-12-10-13(11-18(2)9-5-8-16)14-6-3-4-7-15(14)17-12/h3-4,6-7,10H,5,9,11H2,1-2H3.
What are the key properties of 3-[methyl-[(2-methylquinolin-4-yl)methyl]amino]propanenitrile?
3-[methyl-[(2-methylquinolin-4-yl)methyl]amino]propanenitrile has a molecular weight of 239.32 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[(2-methylquinolin-4-yl)methyl]amino]propanenitrile is sourced from PubChem (CID 79235950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).