5-methyl-N-(2-piperazin-1-ylethyl)-1-quinolin-6-yltriazole-4-carboxamide;dihydrochloride

C19H25Cl2N7O — CID 119445748

IUPAC5-methyl-N-(2-piperazin-1-ylethyl)-1-quinolin-6-yltriazole-4-carboxamide;dihydrochloride
SMILESCc1c(C(=O)NCCN2CCNCC2)nnn1-c1ccc2ncccc2c1.Cl.Cl
InChIInChI=1S/C19H23N7O.2ClH/c1-14-18(19(27)22-9-12-25-10-7-20-8-11-25)23-24-26(14)16-4-5-17-15(13-16)3-2-6-21-17;;/h2-6,13,20H,7-12H2,1H3,(H,22,27);2*1H
InChIKeyRCULNYWMRHWAIK-UHFFFAOYSA-N
MW438.36 g/mol
LogP1.60
Rot. Bonds5

About 5-methyl-N-(2-piperazin-1-ylethyl)-1-quinolin-6-yltriazole-4-carboxamide;dihydrochloride

5-methyl-N-(2-piperazin-1-ylethyl)-1-quinolin-6-yltriazole-4-carboxamide;dihydrochloride (PubChem CID 119445748) has the molecular formula C19H25Cl2N7O and a molecular weight of 438.36 g/mol. Its IUPAC name is 5-methyl-N-(2-piperazin-1-ylethyl)-1-quinolin-6-yltriazole-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name5-methyl-N-(2-piperazin-1-ylethyl)-1-quinolin-6-yltriazole-4-carboxamide;dihydrochloride
PubChem CID119445748
Molecular FormulaC19H25Cl2N7O
Molecular Weight438.36 g/mol
Exact Mass437.15
IUPAC Name5-methyl-N-(2-piperazin-1-ylethyl)-1-quinolin-6-yltriazole-4-carboxamide;dihydrochloride
SMILESCc1c(C(=O)NCCN2CCNCC2)nnn1-c1ccc2ncccc2c1.Cl.Cl
InChIInChI=1S/C19H23N7O.2ClH/c1-14-18(19(27)22-9-12-25-10-7-20-8-11-25)23-24-26(14)16-4-5-17-15(13-16)3-2-6-21-17;;/h2-6,13,20H,7-12H2,1H3,(H,22,27);2*1H
InChIKeyRCULNYWMRHWAIK-UHFFFAOYSA-N
XLogP1.60
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.36
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(cycloheptylamino)ethyl]-5-methyl-1-quinolin-6-yltriazole-4-carboxamide
CID 119619674
5-methyl-N-(2-piperidin-3-ylethyl)-1-quinolin-6-yltriazole-4-carboxamide
CID 119555935
N-(2-piperazin-1-ylethyl)quinoline-6-carboxamide
CID 62875225
1-(4-methoxyphenyl)-5-methyl-N-(2-piperazin-1-ylethyl)triazole-4-carboxamide
CID 119445642
5-methyl-N-(2-piperazin-1-ylethyl)-1-(4-propan-2-yloxyphenyl)triazole-4-carboxamide;hydrochloride
CID 119446433
N,5-dimethyl-N-piperidin-4-yl-1-quinolin-6-yltriazole-4-carboxamide
CID 119441874
1-isoquinolin-5-yl-5-methyl-N-(2-piperazin-1-ylethyl)triazole-4-carboxamide;dihydrochloride
CID 119447508
5-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]-1-quinolin-6-yltriazole-4-carboxamide
CID 75462818
N-(2-amino-1-cyclopropylethyl)-5-methyl-1-quinolin-6-yltriazole-4-carboxamide;dihydrochloride
CID 119613817
N-[2-(aminomethyl)cyclopentyl]-5-methyl-1-quinolin-6-yltriazole-4-carboxamide
CID 119601545
(4-aminopiperidin-1-yl)-(5-methyl-1-quinolin-6-yltriazol-4-yl)methanone;dihydrochloride
CID 119373681
(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-(5-methyl-1-quinolin-6-yltriazol-4-yl)methanone
CID 146093015

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2-piperazin-1-ylethyl)-1-quinolin-6-yltriazole-4-carboxamide;dihydrochloride?
The IUPAC name of 5-methyl-N-(2-piperazin-1-ylethyl)-1-quinolin-6-yltriazole-4-carboxamide;dihydrochloride (CID 119445748) is 5-methyl-N-(2-piperazin-1-ylethyl)-1-quinolin-6-yltriazole-4-carboxamide;dihydrochloride.
What is the SMILES notation for 5-methyl-N-(2-piperazin-1-ylethyl)-1-quinolin-6-yltriazole-4-carboxamide;dihydrochloride?
The canonical SMILES for 5-methyl-N-(2-piperazin-1-ylethyl)-1-quinolin-6-yltriazole-4-carboxamide;dihydrochloride is Cc1c(C(=O)NCCN2CCNCC2)nnn1-c1ccc2ncccc2c1.Cl.Cl.
What is the InChIKey of 5-methyl-N-(2-piperazin-1-ylethyl)-1-quinolin-6-yltriazole-4-carboxamide;dihydrochloride?
The InChIKey is RCULNYWMRHWAIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7O.2ClH/c1-14-18(19(27)22-9-12-25-10-7-20-8-11-25)23-24-26(14)16-4-5-17-15(13-16)3-2-6-21-17;;/h2-6,13,20H,7-12H2,1H3,(H,22,27);2*1H.
What are the key properties of 5-methyl-N-(2-piperazin-1-ylethyl)-1-quinolin-6-yltriazole-4-carboxamide;dihydrochloride?
5-methyl-N-(2-piperazin-1-ylethyl)-1-quinolin-6-yltriazole-4-carboxamide;dihydrochloride has a molecular weight of 438.36 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(2-piperazin-1-ylethyl)-1-quinolin-6-yltriazole-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119445748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).