N-[(3-hydroxy-1-azabicyclo[2.2.2]octan-3-yl)methyl]-5-methyl-1-quinolin-8-yltriazole-4-carboxamide

C21H24N6O2 — CID 167923641

IUPACN-[(3-hydroxy-1-azabicyclo[2.2.2]octan-3-yl)methyl]-5-methyl-1-quinolin-8-yltriazole-4-carboxamide
SMILESCc1c(C(=O)NCC2(O)CN3CCC2CC3)nnn1-c1cccc2cccnc12
InChIInChI=1S/C21H24N6O2/c1-14-18(20(28)23-12-21(29)13-26-10-7-16(21)8-11-26)24-25-27(14)17-6-2-4-15-5-3-9-22-19(15)17/h2-6,9,16,29H,7-8,10-13H2,1H3,(H,23,28)
InChIKeyKLQQXTBUQAHUNK-UHFFFAOYSA-N
MW392.46 g/mol
LogP1.31
Rot. Bonds4

About N-[(3-hydroxy-1-azabicyclo[2.2.2]octan-3-yl)methyl]-5-methyl-1-quinolin-8-yltriazole-4-carboxamide

N-[(3-hydroxy-1-azabicyclo[2.2.2]octan-3-yl)methyl]-5-methyl-1-quinolin-8-yltriazole-4-carboxamide (PubChem CID 167923641) has the molecular formula C21H24N6O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-[(3-hydroxy-1-azabicyclo[2.2.2]octan-3-yl)methyl]-5-methyl-1-quinolin-8-yltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3-hydroxy-1-azabicyclo[2.2.2]octan-3-yl)methyl]-5-methyl-1-quinolin-8-yltriazole-4-carboxamide
PubChem CID167923641
Molecular FormulaC21H24N6O2
Molecular Weight392.46 g/mol
Exact Mass392.20
IUPAC NameN-[(3-hydroxy-1-azabicyclo[2.2.2]octan-3-yl)methyl]-5-methyl-1-quinolin-8-yltriazole-4-carboxamide
SMILESCc1c(C(=O)NCC2(O)CN3CCC2CC3)nnn1-c1cccc2cccnc12
InChIInChI=1S/C21H24N6O2/c1-14-18(20(28)23-12-21(29)13-26-10-7-16(21)8-11-26)24-25-27(14)17-6-2-4-15-5-3-9-22-19(15)17/h2-6,9,16,29H,7-8,10-13H2,1H3,(H,23,28)
InChIKeyKLQQXTBUQAHUNK-UHFFFAOYSA-N
XLogP1.31
TPSA96.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[(3-hydroxy-1-azabicyclo[2.2.2]octan-3-yl)methyl]-5-methyl-1-quinolin-8-yltriazole-4-carboxamide with MolForge

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Related Compounds

1-[[(5-methyl-1-quinolin-8-yltriazole-4-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 120544143
5-methyl-N-[(2S)-2-pyrrolidin-1-ylpropyl]-1-quinolin-8-yltriazole-4-carboxamide
CID 95179929
(4-hydroxypiperidin-1-yl)-(5-methyl-1-quinolin-8-yltriazol-4-yl)methanone
CID 111111026
[2-(methylaminomethyl)pyrrolidin-1-yl]-(5-methyl-1-quinolin-8-yltriazol-4-yl)methanone
CID 119649859
[4-(ethylaminomethyl)piperidin-1-yl]-(5-methyl-1-quinolin-8-yltriazol-4-yl)methanone
CID 119645672
2-[1-[(5-methyl-1-quinolin-8-yltriazole-4-carbonyl)amino]cyclobutyl]acetic acid
CID 120521955
5-methyl-N-(2-methylpiperidin-3-yl)-1-quinolin-8-yltriazole-4-carboxamide
CID 120576888
2-methyl-2-[(5-methyl-1-quinolin-8-yltriazole-4-carbonyl)amino]butanoic acid
CID 120518470
[3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-(5-methyl-1-quinolin-8-yltriazol-4-yl)methanone
CID 167826166
5-methyl-N-(1-piperidin-3-ylethyl)-1-quinolin-8-yltriazole-4-carboxamide
CID 167875096
N-[(1-acetylpyrrolidin-3-yl)methyl]-N,5-dimethyl-1-quinolin-8-yltriazole-4-carboxamide
CID 126768243
[4-(1-aminoethyl)piperidin-1-yl]-(5-methyl-1-quinolin-8-yltriazol-4-yl)methanone;dihydrochloride
CID 119518228

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxy-1-azabicyclo[2.2.2]octan-3-yl)methyl]-5-methyl-1-quinolin-8-yltriazole-4-carboxamide?
The IUPAC name of N-[(3-hydroxy-1-azabicyclo[2.2.2]octan-3-yl)methyl]-5-methyl-1-quinolin-8-yltriazole-4-carboxamide (CID 167923641) is N-[(3-hydroxy-1-azabicyclo[2.2.2]octan-3-yl)methyl]-5-methyl-1-quinolin-8-yltriazole-4-carboxamide.
What is the SMILES notation for N-[(3-hydroxy-1-azabicyclo[2.2.2]octan-3-yl)methyl]-5-methyl-1-quinolin-8-yltriazole-4-carboxamide?
The canonical SMILES for N-[(3-hydroxy-1-azabicyclo[2.2.2]octan-3-yl)methyl]-5-methyl-1-quinolin-8-yltriazole-4-carboxamide is Cc1c(C(=O)NCC2(O)CN3CCC2CC3)nnn1-c1cccc2cccnc12.
What is the InChIKey of N-[(3-hydroxy-1-azabicyclo[2.2.2]octan-3-yl)methyl]-5-methyl-1-quinolin-8-yltriazole-4-carboxamide?
The InChIKey is KLQQXTBUQAHUNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O2/c1-14-18(20(28)23-12-21(29)13-26-10-7-16(21)8-11-26)24-25-27(14)17-6-2-4-15-5-3-9-22-19(15)17/h2-6,9,16,29H,7-8,10-13H2,1H3,(H,23,28).
What are the key properties of N-[(3-hydroxy-1-azabicyclo[2.2.2]octan-3-yl)methyl]-5-methyl-1-quinolin-8-yltriazole-4-carboxamide?
N-[(3-hydroxy-1-azabicyclo[2.2.2]octan-3-yl)methyl]-5-methyl-1-quinolin-8-yltriazole-4-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxy-1-azabicyclo[2.2.2]octan-3-yl)methyl]-5-methyl-1-quinolin-8-yltriazole-4-carboxamide is sourced from PubChem (CID 167923641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).