(6-methoxyquinolin-2-yl)-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone;dihydrochloride

C21H26Cl2N6O2 — CID 120833344

IUPAC(6-methoxyquinolin-2-yl)-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone;dihydrochloride
SMILESCOc1ccc2nc(C(=O)N3CCC(c4nnc5n4CCNC5)CC3)ccc2c1.Cl.Cl
InChIInChI=1S/C21H24N6O2.2ClH/c1-29-16-3-5-17-15(12-16)2-4-18(23-17)21(28)26-9-6-14(7-10-26)20-25-24-19-13-22-8-11-27(19)20;;/h2-5,12,14,22H,6-11,13H2,1H3;2*1H
InChIKeySBKVAFFWGLNHHK-UHFFFAOYSA-N
MW465.39 g/mol
LogP2.80
Rot. Bonds3

About (6-methoxyquinolin-2-yl)-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone;dihydrochloride

(6-methoxyquinolin-2-yl)-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone;dihydrochloride (PubChem CID 120833344) has the molecular formula C21H26Cl2N6O2 and a molecular weight of 465.39 g/mol. Its IUPAC name is (6-methoxyquinolin-2-yl)-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone;dihydrochloride.

Molecular Properties

Compound Name(6-methoxyquinolin-2-yl)-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone;dihydrochloride
PubChem CID120833344
Molecular FormulaC21H26Cl2N6O2
Molecular Weight465.39 g/mol
Exact Mass464.15
IUPAC Name(6-methoxyquinolin-2-yl)-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone;dihydrochloride
SMILESCOc1ccc2nc(C(=O)N3CCC(c4nnc5n4CCNC5)CC3)ccc2c1.Cl.Cl
InChIInChI=1S/C21H24N6O2.2ClH/c1-29-16-3-5-17-15(12-16)2-4-18(23-17)21(28)26-9-6-14(7-10-26)20-25-24-19-13-22-8-11-27(19)20;;/h2-5,12,14,22H,6-11,13H2,1H3;2*1H
InChIKeySBKVAFFWGLNHHK-UHFFFAOYSA-N
XLogP2.80
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.39
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-methoxyphenyl)sulfanyl-1-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]ethanone
CID 120824268
2-(2,5-dimethoxyphenyl)-1-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]ethanone
CID 120823914
2-(4-methoxyphenoxy)-1-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]propan-1-one
CID 120823387
2-(4-methoxyphenyl)-1-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]propan-1-one
CID 120824198
(2,6-dimethylquinolin-3-yl)-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone;dihydrochloride
CID 120833567
(3,5-dimethoxy-4-methylphenyl)-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone;hydrochloride
CID 120823969
(4-methoxypiperidin-1-yl)-(6-methoxyquinolin-2-yl)methanone
CID 56810636
3-(3,5-dimethoxyphenyl)-1-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]propan-1-one;hydrochloride
CID 120823919
[3-(dimethylamino)phenyl]-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone
CID 120823752
2-(3-methoxy-4-methylphenyl)-1-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]ethanone;hydrochloride
CID 120823703
(2-methyl-5-methylsulfanylphenyl)-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone;hydrochloride
CID 120824065
(3-cyclopentyloxyphenyl)-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone;hydrochloride
CID 120823136

Frequently Asked Questions

What is the IUPAC name of (6-methoxyquinolin-2-yl)-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone;dihydrochloride?
The IUPAC name of (6-methoxyquinolin-2-yl)-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone;dihydrochloride (CID 120833344) is (6-methoxyquinolin-2-yl)-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone;dihydrochloride.
What is the SMILES notation for (6-methoxyquinolin-2-yl)-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone;dihydrochloride?
The canonical SMILES for (6-methoxyquinolin-2-yl)-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone;dihydrochloride is COc1ccc2nc(C(=O)N3CCC(c4nnc5n4CCNC5)CC3)ccc2c1.Cl.Cl.
What is the InChIKey of (6-methoxyquinolin-2-yl)-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone;dihydrochloride?
The InChIKey is SBKVAFFWGLNHHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O2.2ClH/c1-29-16-3-5-17-15(12-16)2-4-18(23-17)21(28)26-9-6-14(7-10-26)20-25-24-19-13-22-8-11-27(19)20;;/h2-5,12,14,22H,6-11,13H2,1H3;2*1H.
What are the key properties of (6-methoxyquinolin-2-yl)-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone;dihydrochloride?
(6-methoxyquinolin-2-yl)-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone;dihydrochloride has a molecular weight of 465.39 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxyquinolin-2-yl)-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)piperidin-1-yl]methanone;dihydrochloride is sourced from PubChem (CID 120833344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).