3-[[(3-cyano-6,8-dimethylquinolin-4-yl)amino]methyl]-N-propylbenzamide

C23H24N4O — CID 133317629

IUPAC3-[[(3-cyano-6,8-dimethylquinolin-4-yl)amino]methyl]-N-propylbenzamide
SMILESCCCNC(=O)c1cccc(CNc2c(C#N)cnc3c(C)cc(C)cc23)c1
InChIInChI=1S/C23H24N4O/c1-4-8-25-23(28)18-7-5-6-17(11-18)13-26-22-19(12-24)14-27-21-16(3)9-15(2)10-20(21)22/h5-7,9-11,14H,4,8,13H2,1-3H3,(H,25,28)(H,26,27)
InChIKeyWTJVSRXENIHRQV-UHFFFAOYSA-N
MW372.47 g/mol
LogP4.48
Rot. Bonds6

About 3-[[(3-cyano-6,8-dimethylquinolin-4-yl)amino]methyl]-N-propylbenzamide

3-[[(3-cyano-6,8-dimethylquinolin-4-yl)amino]methyl]-N-propylbenzamide (PubChem CID 133317629) has the molecular formula C23H24N4O and a molecular weight of 372.47 g/mol. Its IUPAC name is 3-[[(3-cyano-6,8-dimethylquinolin-4-yl)amino]methyl]-N-propylbenzamide.

Molecular Properties

Compound Name3-[[(3-cyano-6,8-dimethylquinolin-4-yl)amino]methyl]-N-propylbenzamide
PubChem CID133317629
Molecular FormulaC23H24N4O
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Name3-[[(3-cyano-6,8-dimethylquinolin-4-yl)amino]methyl]-N-propylbenzamide
SMILESCCCNC(=O)c1cccc(CNc2c(C#N)cnc3c(C)cc(C)cc23)c1
InChIInChI=1S/C23H24N4O/c1-4-8-25-23(28)18-7-5-6-17(11-18)13-26-22-19(12-24)14-27-21-16(3)9-15(2)10-20(21)22/h5-7,9-11,14H,4,8,13H2,1-3H3,(H,25,28)(H,26,27)
InChIKeyWTJVSRXENIHRQV-UHFFFAOYSA-N
XLogP4.48
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[(3-cyano-6,8-dimethylquinolin-4-yl)amino]methyl]benzamide
CID 133310236
N-butan-2-yl-3-[[(3-cyano-6-fluoro-8-methylquinolin-4-yl)amino]methyl]benzamide
CID 133317900
2-chloro-N-[2-[(3-cyano-6,8-dimethylquinolin-4-yl)amino]ethyl]benzamide
CID 133316217
3-[[(6-methylpyrimidin-4-yl)amino]methyl]-N-propylbenzamide
CID 133297094
6,8-dimethyl-4-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylamino]quinoline-3-carbonitrile
CID 133321621
8-methyl-4-(propylamino)quinoline-3-carbonitrile
CID 62190067
6,8-dimethyl-4-(2-methylsulfonylethylamino)quinoline-3-carbonitrile
CID 71870914
N-[2-[(3-cyano-6,8-dimethylquinolin-4-yl)amino]ethyl]benzenesulfonamide
CID 133316515
3-(cyanomethyl)-N-propylbenzamide
CID 82178980
6,8-dimethyl-4-(4-methylsulfanylbutylamino)quinoline-3-carbonitrile
CID 166216006
6-fluoro-8-methyl-4-[(4-nitrophenyl)methylamino]quinoline-3-carbonitrile
CID 133319660
4-[(3-hydroxy-4-methoxybutyl)amino]-6,8-dimethylquinoline-3-carbonitrile
CID 133393174

Frequently Asked Questions

What is the IUPAC name of 3-[[(3-cyano-6,8-dimethylquinolin-4-yl)amino]methyl]-N-propylbenzamide?
The IUPAC name of 3-[[(3-cyano-6,8-dimethylquinolin-4-yl)amino]methyl]-N-propylbenzamide (CID 133317629) is 3-[[(3-cyano-6,8-dimethylquinolin-4-yl)amino]methyl]-N-propylbenzamide.
What is the SMILES notation for 3-[[(3-cyano-6,8-dimethylquinolin-4-yl)amino]methyl]-N-propylbenzamide?
The canonical SMILES for 3-[[(3-cyano-6,8-dimethylquinolin-4-yl)amino]methyl]-N-propylbenzamide is CCCNC(=O)c1cccc(CNc2c(C#N)cnc3c(C)cc(C)cc23)c1.
What is the InChIKey of 3-[[(3-cyano-6,8-dimethylquinolin-4-yl)amino]methyl]-N-propylbenzamide?
The InChIKey is WTJVSRXENIHRQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O/c1-4-8-25-23(28)18-7-5-6-17(11-18)13-26-22-19(12-24)14-27-21-16(3)9-15(2)10-20(21)22/h5-7,9-11,14H,4,8,13H2,1-3H3,(H,25,28)(H,26,27).
What are the key properties of 3-[[(3-cyano-6,8-dimethylquinolin-4-yl)amino]methyl]-N-propylbenzamide?
3-[[(3-cyano-6,8-dimethylquinolin-4-yl)amino]methyl]-N-propylbenzamide has a molecular weight of 372.47 g/mol, XLogP of 4.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3-cyano-6,8-dimethylquinolin-4-yl)amino]methyl]-N-propylbenzamide is sourced from PubChem (CID 133317629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).