5-cyano-2-methyl-N-[(1R)-1-[2-(triazol-1-yl)quinolin-4-yl]ethyl]benzamide

C22H18N6O — CID 171792139

IUPAC5-cyano-2-methyl-N-[(1R)-1-[2-(triazol-1-yl)quinolin-4-yl]ethyl]benzamide
SMILESCc1ccc(C#N)cc1C(=O)N[C@H](C)c1cc(-n2ccnn2)nc2ccccc12
InChIInChI=1S/C22H18N6O/c1-14-7-8-16(13-23)11-18(14)22(29)25-15(2)19-12-21(28-10-9-24-27-28)26-20-6-4-3-5-17(19)20/h3-12,15H,1-2H3,(H,25,29)/t15-/m1/s1
InChIKeyDRALCQLSEQODPM-OAHLLOKOSA-N
MW382.43 g/mol
LogP3.49
Rot. Bonds4

About 5-cyano-2-methyl-N-[(1R)-1-[2-(triazol-1-yl)quinolin-4-yl]ethyl]benzamide

5-cyano-2-methyl-N-[(1R)-1-[2-(triazol-1-yl)quinolin-4-yl]ethyl]benzamide (PubChem CID 171792139) has the molecular formula C22H18N6O and a molecular weight of 382.43 g/mol. Its IUPAC name is 5-cyano-2-methyl-N-[(1R)-1-[2-(triazol-1-yl)quinolin-4-yl]ethyl]benzamide.

Molecular Properties

Compound Name5-cyano-2-methyl-N-[(1R)-1-[2-(triazol-1-yl)quinolin-4-yl]ethyl]benzamide
PubChem CID171792139
Molecular FormulaC22H18N6O
Molecular Weight382.43 g/mol
Exact Mass382.15
IUPAC Name5-cyano-2-methyl-N-[(1R)-1-[2-(triazol-1-yl)quinolin-4-yl]ethyl]benzamide
SMILESCc1ccc(C#N)cc1C(=O)N[C@H](C)c1cc(-n2ccnn2)nc2ccccc12
InChIInChI=1S/C22H18N6O/c1-14-7-8-16(13-23)11-18(14)22(29)25-15(2)19-12-21(28-10-9-24-27-28)26-20-6-4-3-5-17(19)20/h3-12,15H,1-2H3,(H,25,29)/t15-/m1/s1
InChIKeyDRALCQLSEQODPM-OAHLLOKOSA-N
XLogP3.49
TPSA96.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.43
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-cyano-2-methyl-N-[(1R)-1-[2-(triazol-1-yl)quinolin-4-yl]ethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(2-chloroquinolin-4-yl)ethyl]-5-cyano-2-methylbenzamide
CID 171792372
N-[1-(3-bromonaphthalen-1-yl)ethyl]-5-cyano-2-methylbenzamide
CID 171792215
N-[(1R)-1-(2-acetamidoquinolin-4-yl)ethyl]-2-methylbenzamide
CID 171792268
N-[(1R)-1-(2-chloroquinolin-4-yl)ethyl]-2-methylbenzamide
CID 171792284
2-methyl-N-[(1R)-1-[2-[(1-methylpyrazol-3-yl)amino]quinolin-4-yl]ethyl]benzamide
CID 171792159
N-[(1S)-1-(2-cyanophenyl)ethyl]-2-phenylquinoline-4-carboxamide
CID 69135579
2,5-dimethyl-N-[(1S)-1-(2-methylphenyl)ethyl]benzamide
CID 31178331
2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]-5-phenylbenzamide
CID 165115788
2-methyl-N-[(1R)-1-[2-(oxetan-3-ylmethoxy)quinolin-4-yl]ethyl]benzamide
CID 171792039
5-cyano-2-methyl-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]benzamide
CID 146152193
N-[1-(2,5-dimethylphenyl)ethyl]-2-(tetrazol-1-yl)benzamide
CID 42893682
5-bromo-2-methyl-N-[1-(2-methylphenyl)ethyl]benzamide
CID 65311896

Frequently Asked Questions

What is the IUPAC name of 5-cyano-2-methyl-N-[(1R)-1-[2-(triazol-1-yl)quinolin-4-yl]ethyl]benzamide?
The IUPAC name of 5-cyano-2-methyl-N-[(1R)-1-[2-(triazol-1-yl)quinolin-4-yl]ethyl]benzamide (CID 171792139) is 5-cyano-2-methyl-N-[(1R)-1-[2-(triazol-1-yl)quinolin-4-yl]ethyl]benzamide.
What is the SMILES notation for 5-cyano-2-methyl-N-[(1R)-1-[2-(triazol-1-yl)quinolin-4-yl]ethyl]benzamide?
The canonical SMILES for 5-cyano-2-methyl-N-[(1R)-1-[2-(triazol-1-yl)quinolin-4-yl]ethyl]benzamide is Cc1ccc(C#N)cc1C(=O)N[C@H](C)c1cc(-n2ccnn2)nc2ccccc12.
What is the InChIKey of 5-cyano-2-methyl-N-[(1R)-1-[2-(triazol-1-yl)quinolin-4-yl]ethyl]benzamide?
The InChIKey is DRALCQLSEQODPM-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H18N6O/c1-14-7-8-16(13-23)11-18(14)22(29)25-15(2)19-12-21(28-10-9-24-27-28)26-20-6-4-3-5-17(19)20/h3-12,15H,1-2H3,(H,25,29)/t15-/m1/s1.
What are the key properties of 5-cyano-2-methyl-N-[(1R)-1-[2-(triazol-1-yl)quinolin-4-yl]ethyl]benzamide?
5-cyano-2-methyl-N-[(1R)-1-[2-(triazol-1-yl)quinolin-4-yl]ethyl]benzamide has a molecular weight of 382.43 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-2-methyl-N-[(1R)-1-[2-(triazol-1-yl)quinolin-4-yl]ethyl]benzamide is sourced from PubChem (CID 171792139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).