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

C20H18N4O — CID 133310236

IUPAC3-[[(3-cyano-6,8-dimethylquinolin-4-yl)amino]methyl]benzamide
SMILESCc1cc(C)c2ncc(C#N)c(NCc3cccc(C(N)=O)c3)c2c1
InChIInChI=1S/C20H18N4O/c1-12-6-13(2)18-17(7-12)19(16(9-21)11-24-18)23-10-14-4-3-5-15(8-14)20(22)25/h3-8,11H,10H2,1-2H3,(H2,22,25)(H,23,24)
InChIKeyPXHBBAXGIVORIH-UHFFFAOYSA-N
MW330.39 g/mol
LogP3.43
Rot. Bonds4

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

3-[[(3-cyano-6,8-dimethylquinolin-4-yl)amino]methyl]benzamide (PubChem CID 133310236) has the molecular formula C20H18N4O and a molecular weight of 330.39 g/mol. Its IUPAC name is 3-[[(3-cyano-6,8-dimethylquinolin-4-yl)amino]methyl]benzamide.

Molecular Properties

Compound Name3-[[(3-cyano-6,8-dimethylquinolin-4-yl)amino]methyl]benzamide
PubChem CID133310236
Molecular FormulaC20H18N4O
Molecular Weight330.39 g/mol
Exact Mass330.15
IUPAC Name3-[[(3-cyano-6,8-dimethylquinolin-4-yl)amino]methyl]benzamide
SMILESCc1cc(C)c2ncc(C#N)c(NCc3cccc(C(N)=O)c3)c2c1
InChIInChI=1S/C20H18N4O/c1-12-6-13(2)18-17(7-12)19(16(9-21)11-24-18)23-10-14-4-3-5-15(8-14)20(22)25/h3-8,11H,10H2,1-2H3,(H2,22,25)(H,23,24)
InChIKeyPXHBBAXGIVORIH-UHFFFAOYSA-N
XLogP3.43
TPSA91.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[(3-cyano-6,8-dimethylquinolin-4-yl)amino]methyl]-N-propylbenzamide
CID 133317629
6,8-dimethyl-4-[(4-nitrophenyl)methylamino]quinoline-3-carbonitrile
CID 133319647
3-[(2,4,6-trimethylanilino)methyl]benzamide
CID 63276989
N-butan-2-yl-3-[[(3-cyano-6-fluoro-8-methylquinolin-4-yl)amino]methyl]benzamide
CID 133317900
6,8-dimethyl-4-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylamino]quinoline-3-carbonitrile
CID 133321621
3-[[(4-chloro-5-cyanopyrimidin-2-yl)amino]methyl]benzamide
CID 123957130
2-chloro-N-[2-[(3-cyano-6,8-dimethylquinolin-4-yl)amino]ethyl]benzamide
CID 133316217
4-[[2-(furan-2-yl)-2-hydroxyethyl]amino]-6,8-dimethylquinoline-3-carbonitrile
CID 133310755
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-[(2,4-dimethylanilino)methyl]benzamide
CID 28564440
3-[(2-cyanoanilino)methyl]benzamide
CID 28580909

Frequently Asked Questions

What is the IUPAC name of 3-[[(3-cyano-6,8-dimethylquinolin-4-yl)amino]methyl]benzamide?
The IUPAC name of 3-[[(3-cyano-6,8-dimethylquinolin-4-yl)amino]methyl]benzamide (CID 133310236) is 3-[[(3-cyano-6,8-dimethylquinolin-4-yl)amino]methyl]benzamide.
What is the SMILES notation for 3-[[(3-cyano-6,8-dimethylquinolin-4-yl)amino]methyl]benzamide?
The canonical SMILES for 3-[[(3-cyano-6,8-dimethylquinolin-4-yl)amino]methyl]benzamide is Cc1cc(C)c2ncc(C#N)c(NCc3cccc(C(N)=O)c3)c2c1.
What is the InChIKey of 3-[[(3-cyano-6,8-dimethylquinolin-4-yl)amino]methyl]benzamide?
The InChIKey is PXHBBAXGIVORIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O/c1-12-6-13(2)18-17(7-12)19(16(9-21)11-24-18)23-10-14-4-3-5-15(8-14)20(22)25/h3-8,11H,10H2,1-2H3,(H2,22,25)(H,23,24).
What are the key properties of 3-[[(3-cyano-6,8-dimethylquinolin-4-yl)amino]methyl]benzamide?
3-[[(3-cyano-6,8-dimethylquinolin-4-yl)amino]methyl]benzamide has a molecular weight of 330.39 g/mol, XLogP of 3.43, 4 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]benzamide is sourced from PubChem (CID 133310236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).