5-methyl-N-(1-piperidin-3-ylethyl)-1-quinolin-8-yltriazole-4-carboxamide

C20H24N6O — CID 167875096

IUPAC5-methyl-N-(1-piperidin-3-ylethyl)-1-quinolin-8-yltriazole-4-carboxamide
SMILESCc1c(C(=O)NC(C)C2CCCNC2)nnn1-c1cccc2cccnc12
InChIInChI=1S/C20H24N6O/c1-13(16-8-4-10-21-12-16)23-20(27)18-14(2)26(25-24-18)17-9-3-6-15-7-5-11-22-19(15)17/h3,5-7,9,11,13,16,21H,4,8,10,12H2,1-2H3,(H,23,27)
InChIKeyHONLYIAZBRQVGW-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.24
Rot. Bonds4

About 5-methyl-N-(1-piperidin-3-ylethyl)-1-quinolin-8-yltriazole-4-carboxamide

5-methyl-N-(1-piperidin-3-ylethyl)-1-quinolin-8-yltriazole-4-carboxamide (PubChem CID 167875096) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is 5-methyl-N-(1-piperidin-3-ylethyl)-1-quinolin-8-yltriazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(1-piperidin-3-ylethyl)-1-quinolin-8-yltriazole-4-carboxamide
PubChem CID167875096
Molecular FormulaC20H24N6O
Molecular Weight364.45 g/mol
Exact Mass364.20
IUPAC Name5-methyl-N-(1-piperidin-3-ylethyl)-1-quinolin-8-yltriazole-4-carboxamide
SMILESCc1c(C(=O)NC(C)C2CCCNC2)nnn1-c1cccc2cccnc12
InChIInChI=1S/C20H24N6O/c1-13(16-8-4-10-21-12-16)23-20(27)18-14(2)26(25-24-18)17-9-3-6-15-7-5-11-22-19(15)17/h3,5-7,9,11,13,16,21H,4,8,10,12H2,1-2H3,(H,23,27)
InChIKeyHONLYIAZBRQVGW-UHFFFAOYSA-N
XLogP2.24
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-methyl-N-(1-piperidin-3-ylethyl)-1-quinolin-8-yltriazole-4-carboxamide 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

5-methyl-N-(2-methylpiperidin-3-yl)-1-quinolin-8-yltriazole-4-carboxamide
CID 120576888
5-methyl-N-[(2S)-2-pyrrolidin-1-ylpropyl]-1-quinolin-8-yltriazole-4-carboxamide
CID 95179929
1-isoquinolin-5-yl-5-methyl-N-piperidin-3-yltriazole-4-carboxamide
CID 119427242
[4-(1-aminoethyl)piperidin-1-yl]-(5-methyl-1-quinolin-8-yltriazol-4-yl)methanone;dihydrochloride
CID 119518228
2-[1-[(5-methyl-1-quinolin-8-yltriazole-4-carbonyl)amino]cyclobutyl]acetic acid
CID 120521955
N-(1-aminohexan-2-yl)-5-methyl-1-quinolin-8-yltriazole-4-carboxamide;dihydrochloride
CID 119666236
N-[(3-hydroxy-1-azabicyclo[2.2.2]octan-3-yl)methyl]-5-methyl-1-quinolin-8-yltriazole-4-carboxamide
CID 167923641
(4-hydroxypiperidin-1-yl)-(5-methyl-1-quinolin-8-yltriazol-4-yl)methanone
CID 111111026
2-methyl-2-[(5-methyl-1-quinolin-8-yltriazole-4-carbonyl)amino]butanoic acid
CID 120518470
1-[[(5-methyl-1-quinolin-8-yltriazole-4-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 120544143
(3-methylpiperazin-1-yl)-(5-methyl-1-quinolin-8-yltriazol-4-yl)methanone
CID 119577878
2-methyl-2-[(5-methyl-1-quinolin-8-yltriazole-4-carbonyl)amino]pentanoic acid
CID 120516941

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(1-piperidin-3-ylethyl)-1-quinolin-8-yltriazole-4-carboxamide?
The IUPAC name of 5-methyl-N-(1-piperidin-3-ylethyl)-1-quinolin-8-yltriazole-4-carboxamide (CID 167875096) is 5-methyl-N-(1-piperidin-3-ylethyl)-1-quinolin-8-yltriazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-(1-piperidin-3-ylethyl)-1-quinolin-8-yltriazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-(1-piperidin-3-ylethyl)-1-quinolin-8-yltriazole-4-carboxamide is Cc1c(C(=O)NC(C)C2CCCNC2)nnn1-c1cccc2cccnc12.
What is the InChIKey of 5-methyl-N-(1-piperidin-3-ylethyl)-1-quinolin-8-yltriazole-4-carboxamide?
The InChIKey is HONLYIAZBRQVGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O/c1-13(16-8-4-10-21-12-16)23-20(27)18-14(2)26(25-24-18)17-9-3-6-15-7-5-11-22-19(15)17/h3,5-7,9,11,13,16,21H,4,8,10,12H2,1-2H3,(H,23,27).
What are the key properties of 5-methyl-N-(1-piperidin-3-ylethyl)-1-quinolin-8-yltriazole-4-carboxamide?
5-methyl-N-(1-piperidin-3-ylethyl)-1-quinolin-8-yltriazole-4-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(1-piperidin-3-ylethyl)-1-quinolin-8-yltriazole-4-carboxamide is sourced from PubChem (CID 167875096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).