N-(1-aminohexan-2-yl)-5-methyl-1-quinolin-8-yltriazole-4-carboxamide;dihydrochloride

C19H26Cl2N6O — CID 119666236

IUPACN-(1-aminohexan-2-yl)-5-methyl-1-quinolin-8-yltriazole-4-carboxamide;dihydrochloride
SMILESCCCCC(CN)NC(=O)c1nnn(-c2cccc3cccnc23)c1C.Cl.Cl
InChIInChI=1S/C19H24N6O.2ClH/c1-3-4-9-15(12-20)22-19(26)17-13(2)25(24-23-17)16-10-5-7-14-8-6-11-21-18(14)16;;/h5-8,10-11,15H,3-4,9,12,20H2,1-2H3,(H,22,26);2*1H
InChIKeyIHUZNLIRFSYLLF-UHFFFAOYSA-N
MW425.36 g/mol
LogP3.21
Rot. Bonds7

About N-(1-aminohexan-2-yl)-5-methyl-1-quinolin-8-yltriazole-4-carboxamide;dihydrochloride

N-(1-aminohexan-2-yl)-5-methyl-1-quinolin-8-yltriazole-4-carboxamide;dihydrochloride (PubChem CID 119666236) has the molecular formula C19H26Cl2N6O and a molecular weight of 425.36 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-5-methyl-1-quinolin-8-yltriazole-4-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-5-methyl-1-quinolin-8-yltriazole-4-carboxamide;dihydrochloride
PubChem CID119666236
Molecular FormulaC19H26Cl2N6O
Molecular Weight425.36 g/mol
Exact Mass424.15
IUPAC NameN-(1-aminohexan-2-yl)-5-methyl-1-quinolin-8-yltriazole-4-carboxamide;dihydrochloride
SMILESCCCCC(CN)NC(=O)c1nnn(-c2cccc3cccnc23)c1C.Cl.Cl
InChIInChI=1S/C19H24N6O.2ClH/c1-3-4-9-15(12-20)22-19(26)17-13(2)25(24-23-17)16-10-5-7-14-8-6-11-21-18(14)16;;/h5-8,10-11,15H,3-4,9,12,20H2,1-2H3,(H,22,26);2*1H
InChIKeyIHUZNLIRFSYLLF-UHFFFAOYSA-N
XLogP3.21
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.36
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-2-[(5-methyl-1-quinolin-8-yltriazole-4-carbonyl)amino]butanoic acid
CID 120518470
2-methyl-2-[(5-methyl-1-quinolin-8-yltriazole-4-carbonyl)amino]pentanoic acid
CID 120516941
N-(1-aminohexan-2-yl)-5-methyl-1-(3-nitrophenyl)triazole-4-carboxamide
CID 119667499
5-methyl-N-[(2S)-2-pyrrolidin-1-ylpropyl]-1-quinolin-8-yltriazole-4-carboxamide
CID 95179929
5-methyl-N-(1-piperidin-3-ylethyl)-1-quinolin-8-yltriazole-4-carboxamide
CID 167875096
[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
1-[[(5-methyl-1-quinolin-8-yltriazole-4-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 120544143
[3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-(5-methyl-1-quinolin-8-yltriazol-4-yl)methanone
CID 167826166
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
[4-(ethylaminomethyl)piperidin-1-yl]-(5-methyl-1-quinolin-8-yltriazol-4-yl)methanone
CID 119645672

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-5-methyl-1-quinolin-8-yltriazole-4-carboxamide;dihydrochloride?
The IUPAC name of N-(1-aminohexan-2-yl)-5-methyl-1-quinolin-8-yltriazole-4-carboxamide;dihydrochloride (CID 119666236) is N-(1-aminohexan-2-yl)-5-methyl-1-quinolin-8-yltriazole-4-carboxamide;dihydrochloride.
What is the SMILES notation for N-(1-aminohexan-2-yl)-5-methyl-1-quinolin-8-yltriazole-4-carboxamide;dihydrochloride?
The canonical SMILES for N-(1-aminohexan-2-yl)-5-methyl-1-quinolin-8-yltriazole-4-carboxamide;dihydrochloride is CCCCC(CN)NC(=O)c1nnn(-c2cccc3cccnc23)c1C.Cl.Cl.
What is the InChIKey of N-(1-aminohexan-2-yl)-5-methyl-1-quinolin-8-yltriazole-4-carboxamide;dihydrochloride?
The InChIKey is IHUZNLIRFSYLLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O.2ClH/c1-3-4-9-15(12-20)22-19(26)17-13(2)25(24-23-17)16-10-5-7-14-8-6-11-21-18(14)16;;/h5-8,10-11,15H,3-4,9,12,20H2,1-2H3,(H,22,26);2*1H.
What are the key properties of N-(1-aminohexan-2-yl)-5-methyl-1-quinolin-8-yltriazole-4-carboxamide;dihydrochloride?
N-(1-aminohexan-2-yl)-5-methyl-1-quinolin-8-yltriazole-4-carboxamide;dihydrochloride has a molecular weight of 425.36 g/mol, XLogP of 3.21, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminohexan-2-yl)-5-methyl-1-quinolin-8-yltriazole-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119666236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).