N-[(4-benzyl-1,2,4-triazol-3-yl)methyl]-2-(4-methylphenyl)-N-(quinolin-2-ylmethyl)ethanamine;N-[[4-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]methyl]-2-(4-methylphenyl)-N-(quinolin-2-ylmethyl)ethanamine;2-(4-methylphenyl)-N-[[4-(4-phenylbutyl)-1,2,4-triazol-3-yl]methyl]-N-(quinolin-2-ylmethyl)ethanamine;2-(4-methylphenyl)-N-[[4-(3-phenylpropyl)-1,2,4-triazol-3-yl]methyl]-N-(quinolin-2-ylmethyl)ethanamine

C122H128N20O — CID 157446786

IUPACN-[(4-benzyl-1,2,4-triazol-3-yl)methyl]-2-(4-methylphenyl)-N-(quinolin-2-ylmethyl)ethanamine;N-[[4-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]methyl]-2-(4-methylphenyl)-N-(quinolin-2-ylmethyl)ethanamine;2-(4-methylphenyl)-N-[[4-(4-phenylbutyl)-1,2,4-triazol-3-yl]methyl]-N-(quinolin-2-ylmethyl)ethanamine;2-(4-methylphenyl)-N-[[4-(3-phenylpropyl)-1,2,4-triazol-3-yl]methyl]-N-(quinolin-2-ylmethyl)ethanamine
SMILESCOc1ccc(Cn2cnnc2CN(CCc2ccc(C)cc2)Cc2ccc3ccccc3n2)cc1.Cc1ccc(CCN(Cc2ccc3ccccc3n2)Cc2nncn2CCCCc2ccccc2)cc1.Cc1ccc(CCN(Cc2ccc3ccccc3n2)Cc2nncn2CCCc2ccccc2)cc1.Cc1ccc(CCN(Cc2ccc3ccccc3n2)Cc2nncn2Cc2ccccc2)cc1
InChIInChI=1S/C32H35N5.C31H33N5.C30H31N5O.C29H29N5/c1-26-14-16-28(17-15-26)20-22-36(23-30-19-18-29-12-5-6-13-31(29)34-30)24-32-35-33-25-37(32)21-8-7-11-27-9-3-2-4-10-27;1-25-13-15-27(16-14-25)19-21-35(22-29-18-17-28-11-5-6-12-30(28)33-29)23-31-34-32-24-36(31)20-7-10-26-8-3-2-4-9-26;1-23-7-9-24(10-8-23)17-18-34(20-27-14-13-26-5-3-4-6-29(26)32-27)21-30-33-31-22-35(30)19-25-11-15-28(36-2)16-12-25;1-23-11-13-24(14-12-23)17-18-33(20-27-16-15-26-9-5-6-10-28(26)31-27)21-29-32-30-22-34(29)19-25-7-3-2-4-8-25/h2-6,9-10,12-19,25H,7-8,11,20-24H2,1H3;2-6,8-9,11-18,24H,7,10,19-23H2,1H3;3-16,22H,17-21H2,1-2H3;2-16,22H,17-21H2,1H3
InChIKeyBSHXSKKORJYOGE-UHFFFAOYSA-N
MW1890.50 g/mol
LogP23.28
Rot. Bonds42

About N-[(4-benzyl-1,2,4-triazol-3-yl)methyl]-2-(4-methylphenyl)-N-(quinolin-2-ylmethyl)ethanamine;N-[[4-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]methyl]-2-(4-methylphenyl)-N-(quinolin-2-ylmethyl)ethanamine;2-(4-methylphenyl)-N-[[4-(4-phenylbutyl)-1,2,4-triazol-3-yl]methyl]-N-(quinolin-2-ylmethyl)ethanamine;2-(4-methylphenyl)-N-[[4-(3-phenylpropyl)-1,2,4-triazol-3-yl]methyl]-N-(quinolin-2-ylmethyl)ethanamine

N-[(4-benzyl-1,2,4-triazol-3-yl)methyl]-2-(4-methylphenyl)-N-(quinolin-2-ylmethyl)ethanamine;N-[[4-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]methyl]-2-(4-methylphenyl)-N-(quinolin-2-ylmethyl)ethanamine;2-(4-methylphenyl)-N-[[4-(4-phenylbutyl)-1,2,4-triazol-3-yl]methyl]-N-(quinolin-2-ylmethyl)ethanamine;2-(4-methylphenyl)-N-[[4-(3-phenylpropyl)-1,2,4-triazol-3-yl]methyl]-N-(quinolin-2-ylmethyl)ethanamine (PubChem CID 157446786) has the molecular formula C122H128N20O and a molecular weight of 1890.50 g/mol. Its IUPAC name is N-[(4-benzyl-1,2,4-triazol-3-yl)methyl]-2-(4-methylphenyl)-N-(quinolin-2-ylmethyl)ethanamine;N-[[4-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]methyl]-2-(4-methylphenyl)-N-(quinolin-2-ylmethyl)ethanamine;2-(4-methylphenyl)-N-[[4-(4-phenylbutyl)-1,2,4-triazol-3-yl]methyl]-N-(quinolin-2-ylmethyl)ethanamine;2-(4-methylphenyl)-N-[[4-(3-phenylpropyl)-1,2,4-triazol-3-yl]methyl]-N-(quinolin-2-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-[(4-benzyl-1,2,4-triazol-3-yl)methyl]-2-(4-methylphenyl)-N-(quinolin-2-ylmethyl)ethanamine;N-[[4-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]methyl]-2-(4-methylphenyl)-N-(quinolin-2-ylmethyl)ethanamine;2-(4-methylphenyl)-N-[[4-(4-phenylbutyl)-1,2,4-triazol-3-yl]methyl]-N-(quinolin-2-ylmethyl)ethanamine;2-(4-methylphenyl)-N-[[4-(3-phenylpropyl)-1,2,4-triazol-3-yl]methyl]-N-(quinolin-2-ylmethyl)ethanamine
PubChem CID157446786
Molecular FormulaC122H128N20O
Molecular Weight1890.50 g/mol
Exact Mass1889.06
IUPAC NameN-[(4-benzyl-1,2,4-triazol-3-yl)methyl]-2-(4-methylphenyl)-N-(quinolin-2-ylmethyl)ethanamine;N-[[4-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]methyl]-2-(4-methylphenyl)-N-(quinolin-2-ylmethyl)ethanamine;2-(4-methylphenyl)-N-[[4-(4-phenylbutyl)-1,2,4-triazol-3-yl]methyl]-N-(quinolin-2-ylmethyl)ethanamine;2-(4-methylphenyl)-N-[[4-(3-phenylpropyl)-1,2,4-triazol-3-yl]methyl]-N-(quinolin-2-ylmethyl)ethanamine
SMILESCOc1ccc(Cn2cnnc2CN(CCc2ccc(C)cc2)Cc2ccc3ccccc3n2)cc1.Cc1ccc(CCN(Cc2ccc3ccccc3n2)Cc2nncn2CCCCc2ccccc2)cc1.Cc1ccc(CCN(Cc2ccc3ccccc3n2)Cc2nncn2CCCc2ccccc2)cc1.Cc1ccc(CCN(Cc2ccc3ccccc3n2)Cc2nncn2Cc2ccccc2)cc1
InChIInChI=1S/C32H35N5.C31H33N5.C30H31N5O.C29H29N5/c1-26-14-16-28(17-15-26)20-22-36(23-30-19-18-29-12-5-6-13-31(29)34-30)24-32-35-33-25-37(32)21-8-7-11-27-9-3-2-4-10-27;1-25-13-15-27(16-14-25)19-21-35(22-29-18-17-28-11-5-6-12-30(28)33-29)23-31-34-32-24-36(31)20-7-10-26-8-3-2-4-9-26;1-23-7-9-24(10-8-23)17-18-34(20-27-14-13-26-5-3-4-6-29(26)32-27)21-30-33-31-22-35(30)19-25-11-15-28(36-2)16-12-25;1-23-11-13-24(14-12-23)17-18-33(20-27-16-15-26-9-5-6-10-28(26)31-27)21-29-32-30-22-34(29)19-25-7-3-2-4-8-25/h2-6,9-10,12-19,25H,7-8,11,20-24H2,1H3;2-6,8-9,11-18,24H,7,10,19-23H2,1H3;3-16,22H,17-21H2,1-2H3;2-16,22H,17-21H2,1H3
InChIKeyBSHXSKKORJYOGE-UHFFFAOYSA-N
XLogP23.28
TPSA196.59 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds42
Heavy Atoms143
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001890.50
LogP ≤ 523.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[(4-benzyl-1,2,4-triazol-3-yl)methyl]-2-(4-methylphenyl)-N-(quinolin-2-ylmethyl)ethanamine;N-[[4-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]methyl]-2-(4-methylphenyl)-N-(quinolin-2-ylmethyl)ethanamine;2-(4-methylphenyl)-N-[[4-(4-phenylbutyl)-1,2,4-triazol-3-yl]methyl]-N-(quinolin-2-ylmethyl)ethanamine;2-(4-methylphenyl)-N-[[4-(3-phenylpropyl)-1,2,4-triazol-3-yl]methyl]-N-(quinolin-2-ylmethyl)ethanamine with MolForge

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Related Compounds

6-[(4-Cyclohexylpiperazin-1-yl)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]quinoline
CID 3193431
11-[4-(Hexyloxy)phenyl]-1,2,4-triazolo[4,3-a][1,10]phenanthroline
CID 139087497
4-[[3-[[2-(4-Methoxyphenyl)ethyl-(quinolin-2-ylmethyl)amino]methyl]-1,2,4-triazol-4-yl]methyl]benzonitrile
CID 23575133
N-[[4-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]methyl]-2-(4-methylphenyl)-N-(quinolin-2-ylmethyl)ethanamine
CID 57845203
N-[[4-[(3-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]methyl]-2-(4-methylphenyl)-N-(quinolin-2-ylmethyl)ethanamine
CID 57845212
7-benzylidene-6-methyl-3-pyridin-2-ylpyrazolo[5,1-c][1,2,4]triazole;N,N-dimethyl-5-[(6-methyl-3-pyridin-2-ylpyrazolo[5,1-c][1,2,4]triazol-7-ylidene)methyl]pyridin-2-amine;4-[[3-(1,5-dimethylpyrazol-3-yl)-6-phenylpyrazolo[5,1-c][1,2,4]triazol-7-ylidene]methyl]-N,N-dimethylaniline;7-[(4-methoxyphenyl)methylidene]-6-methyl-3-pyridin-2-ylpyrazolo[5,1-c][1,2,4]triazole
CID 91176056
2-[[3-[2-[3-(2H-tetrazol-5-yl)phenyl]propyl]phenoxy]methyl]quinoline;2-[[3-[2-[3-(2H-triazol-4-ylmethyl)phenyl]ethyl]phenoxy]methyl]quinoline;2-[[4-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline;2-[[4-[[4-(1H-1,2,4-triazol-5-yl)phenyl]methyl]phenoxy]methyl]quinoline
CID 91309157
2-[2-(5,8-Dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-7-methoxyquinoline;2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-7-methylquinoline
CID 144636292
3-[4-[3,5-Bis(4-ethoxyphenyl)-1,2,4-triazol-4-yl]phenyl]pyridine;3-[4-[3,5-bis(4-methoxyphenyl)-1,2,4-triazol-4-yl]phenyl]pyridine;3-[4-[3,5-bis(4-propan-2-yloxyphenyl)-1,2,4-triazol-4-yl]phenyl]pyridine;3-[4-[3-(4-ethoxyphenyl)-5-(4-propoxyphenyl)-1,2,4-triazol-4-yl]phenyl]pyridine
CID 157172955
5-[[6-tert-butyl-3-(4-methoxyphenyl)pyrazolo[5,1-c][1,2,4]triazol-7-ylidene]amino]-N,N-diethyl-6-methylpyridin-2-amine;N,N-dibutyl-5-[[6-tert-butyl-3-(3-methylphenyl)pyrazolo[5,1-c][1,2,4]triazol-7-ylidene]amino]-6-methylpyridin-2-amine;5-[(3,6-diphenylpyrazolo[5,1-c][1,2,4]triazol-7-ylidene)amino]-N,N-diethyl-6-methylpyridin-2-amine
CID 157189434
4-[[3-[[2-(4-Fluorophenyl)ethyl-(quinolin-2-ylmethyl)amino]methyl]-1,2,4-triazol-4-yl]methyl]benzonitrile;4-[[3-[[(4-fluorophenyl)methyl-(quinolin-2-ylmethyl)amino]methyl]-1,2,4-triazol-4-yl]methyl]benzonitrile;4-[[3-[[2-(4-methoxyphenyl)ethyl-(quinolin-2-ylmethyl)amino]methyl]-1,2,4-triazol-4-yl]methyl]benzonitrile;4-[[3-[[2-phenylethyl(quinolin-2-ylmethyl)amino]methyl]-1,2,4-triazol-4-yl]methyl]benzonitrile
CID 157310387
4-[[3-[[4-bromo-N-(quinolin-2-ylmethyl)anilino]methyl]-1,2,4-triazol-4-yl]methyl]benzonitrile;4-[[3-[[1-(2-fluorophenyl)propan-2-yl-(quinolin-2-ylmethyl)amino]methyl]-1,2,4-triazol-4-yl]methyl]benzonitrile;4-[[3-[[1-phenoxypropan-2-yl(quinolin-2-ylmethyl)amino]methyl]-1,2,4-triazol-4-yl]methyl]benzonitrile;4-[[3-[[1-phenylbutan-2-yl(quinolin-2-ylmethyl)amino]methyl]-1,2,4-triazol-4-yl]methyl]benzonitrile
CID 157486326

Frequently Asked Questions

What is the IUPAC name of N-[(4-benzyl-1,2,4-triazol-3-yl)methyl]-2-(4-methylphenyl)-N-(quinolin-2-ylmethyl)ethanamine;N-[[4-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]methyl]-2-(4-methylphenyl)-N-(quinolin-2-ylmethyl)ethanamine;2-(4-methylphenyl)-N-[[4-(4-phenylbutyl)-1,2,4-triazol-3-yl]methyl]-N-(quinolin-2-ylmethyl)ethanamine;2-(4-methylphenyl)-N-[[4-(3-phenylpropyl)-1,2,4-triazol-3-yl]methyl]-N-(quinolin-2-ylmethyl)ethanamine?
The IUPAC name of N-[(4-benzyl-1,2,4-triazol-3-yl)methyl]-2-(4-methylphenyl)-N-(quinolin-2-ylmethyl)ethanamine;N-[[4-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]methyl]-2-(4-methylphenyl)-N-(quinolin-2-ylmethyl)ethanamine;2-(4-methylphenyl)-N-[[4-(4-phenylbutyl)-1,2,4-triazol-3-yl]methyl]-N-(quinolin-2-ylmethyl)ethanamine;2-(4-methylphenyl)-N-[[4-(3-phenylpropyl)-1,2,4-triazol-3-yl]methyl]-N-(quinolin-2-ylmethyl)ethanamine (CID 157446786) is N-[(4-benzyl-1,2,4-triazol-3-yl)methyl]-2-(4-methylphenyl)-N-(quinolin-2-ylmethyl)ethanamine;N-[[4-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]methyl]-2-(4-methylphenyl)-N-(quinolin-2-ylmethyl)ethanamine;2-(4-methylphenyl)-N-[[4-(4-phenylbutyl)-1,2,4-triazol-3-yl]methyl]-N-(quinolin-2-ylmethyl)ethanamine;2-(4-methylphenyl)-N-[[4-(3-phenylpropyl)-1,2,4-triazol-3-yl]methyl]-N-(quinolin-2-ylmethyl)ethanamine.
What is the SMILES notation for N-[(4-benzyl-1,2,4-triazol-3-yl)methyl]-2-(4-methylphenyl)-N-(quinolin-2-ylmethyl)ethanamine;N-[[4-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]methyl]-2-(4-methylphenyl)-N-(quinolin-2-ylmethyl)ethanamine;2-(4-methylphenyl)-N-[[4-(4-phenylbutyl)-1,2,4-triazol-3-yl]methyl]-N-(quinolin-2-ylmethyl)ethanamine;2-(4-methylphenyl)-N-[[4-(3-phenylpropyl)-1,2,4-triazol-3-yl]methyl]-N-(quinolin-2-ylmethyl)ethanamine?
The canonical SMILES for N-[(4-benzyl-1,2,4-triazol-3-yl)methyl]-2-(4-methylphenyl)-N-(quinolin-2-ylmethyl)ethanamine;N-[[4-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]methyl]-2-(4-methylphenyl)-N-(quinolin-2-ylmethyl)ethanamine;2-(4-methylphenyl)-N-[[4-(4-phenylbutyl)-1,2,4-triazol-3-yl]methyl]-N-(quinolin-2-ylmethyl)ethanamine;2-(4-methylphenyl)-N-[[4-(3-phenylpropyl)-1,2,4-triazol-3-yl]methyl]-N-(quinolin-2-ylmethyl)ethanamine is COc1ccc(Cn2cnnc2CN(CCc2ccc(C)cc2)Cc2ccc3ccccc3n2)cc1.Cc1ccc(CCN(Cc2ccc3ccccc3n2)Cc2nncn2CCCCc2ccccc2)cc1.Cc1ccc(CCN(Cc2ccc3ccccc3n2)Cc2nncn2CCCc2ccccc2)cc1.Cc1ccc(CCN(Cc2ccc3ccccc3n2)Cc2nncn2Cc2ccccc2)cc1.
What is the InChIKey of N-[(4-benzyl-1,2,4-triazol-3-yl)methyl]-2-(4-methylphenyl)-N-(quinolin-2-ylmethyl)ethanamine;N-[[4-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]methyl]-2-(4-methylphenyl)-N-(quinolin-2-ylmethyl)ethanamine;2-(4-methylphenyl)-N-[[4-(4-phenylbutyl)-1,2,4-triazol-3-yl]methyl]-N-(quinolin-2-ylmethyl)ethanamine;2-(4-methylphenyl)-N-[[4-(3-phenylpropyl)-1,2,4-triazol-3-yl]methyl]-N-(quinolin-2-ylmethyl)ethanamine?
The InChIKey is BSHXSKKORJYOGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35N5.C31H33N5.C30H31N5O.C29H29N5/c1-26-14-16-28(17-15-26)20-22-36(23-30-19-18-29-12-5-6-13-31(29)34-30)24-32-35-33-25-37(32)21-8-7-11-27-9-3-2-4-10-27;1-25-13-15-27(16-14-25)19-21-35(22-29-18-17-28-11-5-6-12-30(28)33-29)23-31-34-32-24-36(31)20-7-10-26-8-3-2-4-9-26;1-23-7-9-24(10-8-23)17-18-34(20-27-14-13-26-5-3-4-6-29(26)32-27)21-30-33-31-22-35(30)19-25-11-15-28(36-2)16-12-25;1-23-11-13-24(14-12-23)17-18-33(20-27-16-15-26-9-5-6-10-28(26)31-27)21-29-32-30-22-34(29)19-25-7-3-2-4-8-25/h2-6,9-10,12-19,25H,7-8,11,20-24H2,1H3;2-6,8-9,11-18,24H,7,10,19-23H2,1H3;3-16,22H,17-21H2,1-2H3;2-16,22H,17-21H2,1H3.
What are the key properties of N-[(4-benzyl-1,2,4-triazol-3-yl)methyl]-2-(4-methylphenyl)-N-(quinolin-2-ylmethyl)ethanamine;N-[[4-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]methyl]-2-(4-methylphenyl)-N-(quinolin-2-ylmethyl)ethanamine;2-(4-methylphenyl)-N-[[4-(4-phenylbutyl)-1,2,4-triazol-3-yl]methyl]-N-(quinolin-2-ylmethyl)ethanamine;2-(4-methylphenyl)-N-[[4-(3-phenylpropyl)-1,2,4-triazol-3-yl]methyl]-N-(quinolin-2-ylmethyl)ethanamine?
N-[(4-benzyl-1,2,4-triazol-3-yl)methyl]-2-(4-methylphenyl)-N-(quinolin-2-ylmethyl)ethanamine;N-[[4-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]methyl]-2-(4-methylphenyl)-N-(quinolin-2-ylmethyl)ethanamine;2-(4-methylphenyl)-N-[[4-(4-phenylbutyl)-1,2,4-triazol-3-yl]methyl]-N-(quinolin-2-ylmethyl)ethanamine;2-(4-methylphenyl)-N-[[4-(3-phenylpropyl)-1,2,4-triazol-3-yl]methyl]-N-(quinolin-2-ylmethyl)ethanamine has a molecular weight of 1890.50 g/mol, XLogP of 23.28, 42 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-benzyl-1,2,4-triazol-3-yl)methyl]-2-(4-methylphenyl)-N-(quinolin-2-ylmethyl)ethanamine;N-[[4-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]methyl]-2-(4-methylphenyl)-N-(quinolin-2-ylmethyl)ethanamine;2-(4-methylphenyl)-N-[[4-(4-phenylbutyl)-1,2,4-triazol-3-yl]methyl]-N-(quinolin-2-ylmethyl)ethanamine;2-(4-methylphenyl)-N-[[4-(3-phenylpropyl)-1,2,4-triazol-3-yl]methyl]-N-(quinolin-2-ylmethyl)ethanamine is sourced from PubChem (CID 157446786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).