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

C17H21N3O — CID 79046293

IUPAC3-[2-methoxyethyl-[(2-methylquinolin-4-yl)methyl]amino]propanenitrile
SMILESCOCCN(CCC#N)Cc1cc(C)nc2ccccc12
InChIInChI=1S/C17H21N3O/c1-14-12-15(16-6-3-4-7-17(16)19-14)13-20(9-5-8-18)10-11-21-2/h3-4,6-7,12H,5,9-11,13H2,1-2H3
InChIKeyOJMFMLRSZSVKEV-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.91
Rot. Bonds7

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

3-[2-methoxyethyl-[(2-methylquinolin-4-yl)methyl]amino]propanenitrile (PubChem CID 79046293) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 3-[2-methoxyethyl-[(2-methylquinolin-4-yl)methyl]amino]propanenitrile.

Molecular Properties

Compound Name3-[2-methoxyethyl-[(2-methylquinolin-4-yl)methyl]amino]propanenitrile
PubChem CID79046293
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name3-[2-methoxyethyl-[(2-methylquinolin-4-yl)methyl]amino]propanenitrile
SMILESCOCCN(CCC#N)Cc1cc(C)nc2ccccc12
InChIInChI=1S/C17H21N3O/c1-14-12-15(16-6-3-4-7-17(16)19-14)13-20(9-5-8-18)10-11-21-2/h3-4,6-7,12H,5,9-11,13H2,1-2H3
InChIKeyOJMFMLRSZSVKEV-UHFFFAOYSA-N
XLogP2.91
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[methyl-[(2-methylquinolin-4-yl)methyl]amino]propanenitrile
CID 79235950
2-[2-cyanoethyl(2-methoxyethyl)amino]quinoline-4-carbonitrile
CID 63884258
3-[[3-(bromomethyl)quinolin-2-yl]-(2-methoxyethyl)amino]propanenitrile
CID 107083470
3-[(2,6-dichloro-4-pyridinyl)methyl-(2-methoxyethyl)amino]propanenitrile
CID 71986659
3-[2-methoxyethyl(2-phenylethyl)amino]propanenitrile
CID 62050074
2-[carboxymethyl-[(2-methylquinolin-4-yl)methyl]amino]acetic acid
CID 79234105
3-[methyl-[(2-methylquinolin-4-yl)methyl]amino]butanenitrile
CID 79235555
3-[(2-chloro-3-fluorophenyl)methyl-(2-methoxyethyl)amino]propanenitrile
CID 112550307
3-[(2-amino-4-chlorophenyl)methyl-(2-methoxyethyl)amino]propanenitrile
CID 63284421
2-[4-[[2-cyanoethyl(2-methoxyethyl)amino]methyl]phenyl]acetic acid
CID 105346010
3-methoxy-1-N-methyl-1-N-[(2-methylquinolin-4-yl)methyl]propane-1,2-diamine
CID 79240798
3-[cyclopropyl-(2-methylquinolin-4-yl)amino]propanenitrile
CID 54997126

Frequently Asked Questions

What is the IUPAC name of 3-[2-methoxyethyl-[(2-methylquinolin-4-yl)methyl]amino]propanenitrile?
The IUPAC name of 3-[2-methoxyethyl-[(2-methylquinolin-4-yl)methyl]amino]propanenitrile (CID 79046293) is 3-[2-methoxyethyl-[(2-methylquinolin-4-yl)methyl]amino]propanenitrile.
What is the SMILES notation for 3-[2-methoxyethyl-[(2-methylquinolin-4-yl)methyl]amino]propanenitrile?
The canonical SMILES for 3-[2-methoxyethyl-[(2-methylquinolin-4-yl)methyl]amino]propanenitrile is COCCN(CCC#N)Cc1cc(C)nc2ccccc12.
What is the InChIKey of 3-[2-methoxyethyl-[(2-methylquinolin-4-yl)methyl]amino]propanenitrile?
The InChIKey is OJMFMLRSZSVKEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-14-12-15(16-6-3-4-7-17(16)19-14)13-20(9-5-8-18)10-11-21-2/h3-4,6-7,12H,5,9-11,13H2,1-2H3.
What are the key properties of 3-[2-methoxyethyl-[(2-methylquinolin-4-yl)methyl]amino]propanenitrile?
3-[2-methoxyethyl-[(2-methylquinolin-4-yl)methyl]amino]propanenitrile has a molecular weight of 283.38 g/mol, XLogP of 2.91, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methoxyethyl-[(2-methylquinolin-4-yl)methyl]amino]propanenitrile is sourced from PubChem (CID 79046293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).