2-azabicyclo[2.2.2]octan-2-amine;4-[(2Z)-2-(2-azabicyclo[2.2.2]octan-2-ylimino)-2-(6-methyl-2-pyridinyl)ethyl]quinoline-6-carbonitrile;4-[4-(6-methyl-2-pyridinyl)-2,3-diazatricyclo[5.2.2.02,6]undeca-3,5-dien-5-yl]quinoline-6-carbonitrile;bis(4-[4-(6-methyl-2-pyridinyl)-2,3-diazatricyclo[5.2.2.02,6]undeca-3,5-dien-5-yl]quinoline-6-carboxamide);4-[2-(6-methyl-2-pyridinyl)-2-oxoethyl]quinoline-6-carbonitrile;hydrochloride

C125H120ClN25O3 — CID 172964100

About 2-azabicyclo[2.2.2]octan-2-amine;4-[(2Z)-2-(2-azabicyclo[2.2.2]octan-2-ylimino)-2-(6-methyl-2-pyridinyl)ethyl]quinoline-6-carbonitrile;4-[4-(6-methyl-2-pyridinyl)-2,3-diazatricyclo[5.2.2.02,6]undeca-3,5-dien-5-yl]quinoline-6-carbonitrile;bis(4-[4-(6-methyl-2-pyridinyl)-2,3-diazatricyclo[5.2.2.02,6]undeca-3,5-dien-5-yl]quinoline-6-carboxamide);4-[2-(6-methyl-2-pyridinyl)-2-oxoethyl]quinoline-6-carbonitrile;hydrochloride

2-azabicyclo[2.2.2]octan-2-amine;4-[(2Z)-2-(2-azabicyclo[2.2.2]octan-2-ylimino)-2-(6-methyl-2-pyridinyl)ethyl]quinoline-6-carbonitrile;4-[4-(6-methyl-2-pyridinyl)-2,3-diazatricyclo[5.2.2.02,6]undeca-3,5-dien-5-yl]quinoline-6-carbonitrile;bis(4-[4-(6-methyl-2-pyridinyl)-2,3-diazatricyclo[5.2.2.02,6]undeca-3,5-dien-5-yl]quinoline-6-carboxamide);4-[2-(6-methyl-2-pyridinyl)-2-oxoethyl]quinoline-6-carbonitrile;hydrochloride (PubChem CID 172964100) has the molecular formula C125H120ClN25O3 and a molecular weight of 2055.96 g/mol. Its IUPAC name is 2-azabicyclo[2.2.2]octan-2-amine;4-[(2Z)-2-(2-azabicyclo[2.2.2]octan-2-ylimino)-2-(6-methyl-2-pyridinyl)ethyl]quinoline-6-carbonitrile;4-[4-(6-methyl-2-pyridinyl)-2,3-diazatricyclo[5.2.2.02,6]undeca-3,5-dien-5-yl]quinoline-6-carbonitrile;bis(4-[4-(6-methyl-2-pyridinyl)-2,3-diazatricyclo[5.2.2.02,6]undeca-3,5-dien-5-yl]quinoline-6-carboxamide);4-[2-(6-methyl-2-pyridinyl)-2-oxoethyl]quinoline-6-carbonitrile;hydrochloride.

Molecular Properties

• Compound Name: 2-azabicyclo[2.2.2]octan-2-amine;4-[(2Z)-2-(2-azabicyclo[2.2.2]octan-2-ylimino)-2-(6-methyl-2-pyridinyl)ethyl]quinoline-6-carbonitrile;4-[4-(6-methyl-2-pyridinyl)-2,3-diazatricyclo[5.2.2.02,6]undeca-3,5-dien-5-yl]quinoline-6-carbonitrile;bis(4-[4-(6-methyl-2-pyridinyl)-2,3-diazatricyclo[5.2.2.02,6]undeca-3,5-dien-5-yl]quinoline-6-carboxamide);4-[2-(6-methyl-2-pyridinyl)-2-oxoethyl]quinoline-6-carbonitrile;hydrochloride
• PubChem CID: 172964100
• Molecular Formula: C125H120ClN25O3
• Molecular Weight: 2055.96 g/mol
• Exact Mass: 2053.97
• IUPAC Name: 2-azabicyclo[2.2.2]octan-2-amine;4-[(2Z)-2-(2-azabicyclo[2.2.2]octan-2-ylimino)-2-(6-methyl-2-pyridinyl)ethyl]quinoline-6-carbonitrile;4-[4-(6-methyl-2-pyridinyl)-2,3-diazatricyclo[5.2.2.02,6]undeca-3,5-dien-5-yl]quinoline-6-carbonitrile;bis(4-[4-(6-methyl-2-pyridinyl)-2,3-diazatricyclo[5.2.2.02,6]undeca-3,5-dien-5-yl]quinoline-6-carboxamide);4-[2-(6-methyl-2-pyridinyl)-2-oxoethyl]quinoline-6-carbonitrile;hydrochloride
• SMILES: Cc1cccc(-c2nn3c(c2-c2ccnc4ccc(C#N)cc24)C2CCC3CC2)n1.Cc1cccc(-c2nn3c(c2-c2ccnc4ccc(C(N)=O)cc24)C2CCC3CC2)n1.Cc1cccc(-c2nn3c(c2-c2ccnc4ccc(C(N)=O)cc24)C2CCC3CC2)n1.Cc1cccc(/C(Cc2ccnc3ccc(C#N)cc23)=N\N2CC3CCC2CC3)n1.Cc1cccc(C(=O)Cc2ccnc3ccc(C#N)cc23)n1.Cl.NN1CC2CCC1CC2
• InChI: InChI=1S/2C25H23N5O.C25H21N5.C25H25N5.C18H13N3O.C7H14N2.ClH/c2*1-14-3-2-4-21(28-14)23-22(24-15-5-8-17(9-6-15)30(24)29-23)18-11-12-27-20-10-7-16(25(26)31)13-19(18)20;1-15-3-2-4-22(28-15)24-23(25-17-6-8-18(9-7-17)30(25)29-24)19-11-12-27-21-10-5-16(14-26)13-20(19)21;1-17-3-2-4-24(28-17)25(29-30-16-18-5-8-21(30)9-6-18)14-20-11-12-27-23-10-7-19(15-26)13-22(20)23;1-12-3-2-4-17(21-12)18(22)10-14-7-8-20-16-6-5-13(11-19)9-15(14)16;8-9-5-6-1-3-7(9)4-2-6;/h2*2-4,7,10-13,15,17H,5-6,8-9H2,1H3,(H2,26,31);2-5,10-13,17-18H,6-9H2,1H3;2-4,7,10-13,18,21H,5-6,8-9,14,16H2,1H3;2-9H,10H2,1H3;6-7H,1-5,8H2;1H/b;;;29-25-
• InChIKey: DPTYLVKROXXUEK-HUBOWSBESA-N
• XLogP: 24.14
• TPSA: 401.84 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 26
• Rotatable Bonds: 15
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2055.96
LogP ≤ 5	24.14
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-azabicyclo[2.2.2]octan-2-amine;4-[(2Z)-2-(2-azabicyclo[2.2.2]octan-2-ylimino)-2-(6-methyl-2-pyridinyl)ethyl]quinoline-6-carbonitrile;4-[4-(6-methyl-2-pyridinyl)-2,3-diazatricyclo[5.2.2.02,6]undeca-3,5-dien-5-yl]quinoline-6-carbonitrile;bis(4-[4-(6-methyl-2-pyridinyl)-2,3-diazatricyclo[5.2.2.02,6]undeca-3,5-dien-5-yl]quinoline-6-carboxamide);4-[2-(6-methyl-2-pyridinyl)-2-oxoethyl]quinoline-6-carbonitrile;hydrochloride?

The IUPAC name of 2-azabicyclo[2.2.2]octan-2-amine;4-[(2Z)-2-(2-azabicyclo[2.2.2]octan-2-ylimino)-2-(6-methyl-2-pyridinyl)ethyl]quinoline-6-carbonitrile;4-[4-(6-methyl-2-pyridinyl)-2,3-diazatricyclo[5.2.2.02,6]undeca-3,5-dien-5-yl]quinoline-6-carbonitrile;bis(4-[4-(6-methyl-2-pyridinyl)-2,3-diazatricyclo[5.2.2.02,6]undeca-3,5-dien-5-yl]quinoline-6-carboxamide);4-[2-(6-methyl-2-pyridinyl)-2-oxoethyl]quinoline-6-carbonitrile;hydrochloride (CID 172964100) is 2-azabicyclo[2.2.2]octan-2-amine;4-[(2Z)-2-(2-azabicyclo[2.2.2]octan-2-ylimino)-2-(6-methyl-2-pyridinyl)ethyl]quinoline-6-carbonitrile;4-[4-(6-methyl-2-pyridinyl)-2,3-diazatricyclo[5.2.2.02,6]undeca-3,5-dien-5-yl]quinoline-6-carbonitrile;bis(4-[4-(6-methyl-2-pyridinyl)-2,3-diazatricyclo[5.2.2.02,6]undeca-3,5-dien-5-yl]quinoline-6-carboxamide);4-[2-(6-methyl-2-pyridinyl)-2-oxoethyl]quinoline-6-carbonitrile;hydrochloride.

What is the SMILES notation for 2-azabicyclo[2.2.2]octan-2-amine;4-[(2Z)-2-(2-azabicyclo[2.2.2]octan-2-ylimino)-2-(6-methyl-2-pyridinyl)ethyl]quinoline-6-carbonitrile;4-[4-(6-methyl-2-pyridinyl)-2,3-diazatricyclo[5.2.2.02,6]undeca-3,5-dien-5-yl]quinoline-6-carbonitrile;bis(4-[4-(6-methyl-2-pyridinyl)-2,3-diazatricyclo[5.2.2.02,6]undeca-3,5-dien-5-yl]quinoline-6-carboxamide);4-[2-(6-methyl-2-pyridinyl)-2-oxoethyl]quinoline-6-carbonitrile;hydrochloride?

The canonical SMILES for 2-azabicyclo[2.2.2]octan-2-amine;4-[(2Z)-2-(2-azabicyclo[2.2.2]octan-2-ylimino)-2-(6-methyl-2-pyridinyl)ethyl]quinoline-6-carbonitrile;4-[4-(6-methyl-2-pyridinyl)-2,3-diazatricyclo[5.2.2.02,6]undeca-3,5-dien-5-yl]quinoline-6-carbonitrile;bis(4-[4-(6-methyl-2-pyridinyl)-2,3-diazatricyclo[5.2.2.02,6]undeca-3,5-dien-5-yl]quinoline-6-carboxamide);4-[2-(6-methyl-2-pyridinyl)-2-oxoethyl]quinoline-6-carbonitrile;hydrochloride is Cc1cccc(-c2nn3c(c2-c2ccnc4ccc(C#N)cc24)C2CCC3CC2)n1.Cc1cccc(-c2nn3c(c2-c2ccnc4ccc(C(N)=O)cc24)C2CCC3CC2)n1.Cc1cccc(-c2nn3c(c2-c2ccnc4ccc(C(N)=O)cc24)C2CCC3CC2)n1.Cc1cccc(/C(Cc2ccnc3ccc(C#N)cc23)=N\N2CC3CCC2CC3)n1.Cc1cccc(C(=O)Cc2ccnc3ccc(C#N)cc23)n1.Cl.NN1CC2CCC1CC2.

What is the InChIKey of 2-azabicyclo[2.2.2]octan-2-amine;4-[(2Z)-2-(2-azabicyclo[2.2.2]octan-2-ylimino)-2-(6-methyl-2-pyridinyl)ethyl]quinoline-6-carbonitrile;4-[4-(6-methyl-2-pyridinyl)-2,3-diazatricyclo[5.2.2.02,6]undeca-3,5-dien-5-yl]quinoline-6-carbonitrile;bis(4-[4-(6-methyl-2-pyridinyl)-2,3-diazatricyclo[5.2.2.02,6]undeca-3,5-dien-5-yl]quinoline-6-carboxamide);4-[2-(6-methyl-2-pyridinyl)-2-oxoethyl]quinoline-6-carbonitrile;hydrochloride?

The InChIKey is DPTYLVKROXXUEK-HUBOWSBESA-N. The full InChI is InChI=1S/2C25H23N5O.C25H21N5.C25H25N5.C18H13N3O.C7H14N2.ClH/c2*1-14-3-2-4-21(28-14)23-22(24-15-5-8-17(9-6-15)30(24)29-23)18-11-12-27-20-10-7-16(25(26)31)13-19(18)20;1-15-3-2-4-22(28-15)24-23(25-17-6-8-18(9-7-17)30(25)29-24)19-11-12-27-21-10-5-16(14-26)13-20(19)21;1-17-3-2-4-24(28-17)25(29-30-16-18-5-8-21(30)9-6-18)14-20-11-12-27-23-10-7-19(15-26)13-22(20)23;1-12-3-2-4-17(21-12)18(22)10-14-7-8-20-16-6-5-13(11-19)9-15(14)16;8-9-5-6-1-3-7(9)4-2-6;/h2*2-4,7,10-13,15,17H,5-6,8-9H2,1H3,(H2,26,31);2-5,10-13,17-18H,6-9H2,1H3;2-4,7,10-13,18,21H,5-6,8-9,14,16H2,1H3;2-9H,10H2,1H3;6-7H,1-5,8H2;1H/b;;;29-25-;;;.

What are the key properties of 2-azabicyclo[2.2.2]octan-2-amine;4-[(2Z)-2-(2-azabicyclo[2.2.2]octan-2-ylimino)-2-(6-methyl-2-pyridinyl)ethyl]quinoline-6-carbonitrile;4-[4-(6-methyl-2-pyridinyl)-2,3-diazatricyclo[5.2.2.02,6]undeca-3,5-dien-5-yl]quinoline-6-carbonitrile;bis(4-[4-(6-methyl-2-pyridinyl)-2,3-diazatricyclo[5.2.2.02,6]undeca-3,5-dien-5-yl]quinoline-6-carboxamide);4-[2-(6-methyl-2-pyridinyl)-2-oxoethyl]quinoline-6-carbonitrile;hydrochloride?

2-azabicyclo[2.2.2]octan-2-amine;4-[(2Z)-2-(2-azabicyclo[2.2.2]octan-2-ylimino)-2-(6-methyl-2-pyridinyl)ethyl]quinoline-6-carbonitrile;4-[4-(6-methyl-2-pyridinyl)-2,3-diazatricyclo[5.2.2.02,6]undeca-3,5-dien-5-yl]quinoline-6-carbonitrile;bis(4-[4-(6-methyl-2-pyridinyl)-2,3-diazatricyclo[5.2.2.02,6]undeca-3,5-dien-5-yl]quinoline-6-carboxamide);4-[2-(6-methyl-2-pyridinyl)-2-oxoethyl]quinoline-6-carbonitrile;hydrochloride has a molecular weight of 2055.96 g/mol, XLogP of 24.14, 15 rotatable bonds, 3 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 2-azabicyclo[2.2.2]octan-2-amine;4-[(2Z)-2-(2-azabicyclo[2.2.2]octan-2-ylimino)-2-(6-methyl-2-pyridinyl)ethyl]quinoline-6-carbonitrile;4-[4-(6-methyl-2-pyridinyl)-2,3-diazatricyclo[5.2.2.02,6]undeca-3,5-dien-5-yl]quinoline-6-carbonitrile;bis(4-[4-(6-methyl-2-pyridinyl)-2,3-diazatricyclo[5.2.2.02,6]undeca-3,5-dien-5-yl]quinoline-6-carboxamide);4-[2-(6-methyl-2-pyridinyl)-2-oxoethyl]quinoline-6-carbonitrile;hydrochloride is sourced from PubChem (CID 172964100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).