lithium;dipotassium;1-[4-[1-(1-acetyl-6-bromo-3,4-dihydro-2H-quinoline-2-carbonyl)azetidin-3-yl]piperazin-1-yl]ethanone;1-acetyl-6-bromo-3,4-dihydro-2H-quinoline-2-carboxylic acid;acetyl chloride;1-[4-(azetidin-3-yl)piperazin-1-yl]ethanone;1-[6-bromo-2-(3-piperazin-1-ylazetidine-1-carbonyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[6-bromo-2-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidine-1-carbonyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone;hydride;methane;methanol;methyl 1-acetyl-6-bromo-3,4-dihydro-2H-quinoline-2-carboxylate;methyl 6-bromo-1,2,3,4-tetrahydroquinoline-2-carboxylate;oxido formate;1,3-thiazole-2-carboxylic acid;hydroxide

C118H154Br6ClK2LiN20O25S2 — CID 159538954

About lithium;dipotassium;1-[4-[1-(1-acetyl-6-bromo-3,4-dihydro-2H-quinoline-2-carbonyl)azetidin-3-yl]piperazin-1-yl]ethanone;1-acetyl-6-bromo-3,4-dihydro-2H-quinoline-2-carboxylic acid;acetyl chloride;1-[4-(azetidin-3-yl)piperazin-1-yl]ethanone;1-[6-bromo-2-(3-piperazin-1-ylazetidine-1-carbonyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[6-bromo-2-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidine-1-carbonyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone;hydride;methane;methanol;methyl 1-acetyl-6-bromo-3,4-dihydro-2H-quinoline-2-carboxylate;methyl 6-bromo-1,2,3,4-tetrahydroquinoline-2-carboxylate;oxido formate;1,3-thiazole-2-carboxylic acid;hydroxide

lithium;dipotassium;1-[4-[1-(1-acetyl-6-bromo-3,4-dihydro-2H-quinoline-2-carbonyl)azetidin-3-yl]piperazin-1-yl]ethanone;1-acetyl-6-bromo-3,4-dihydro-2H-quinoline-2-carboxylic acid;acetyl chloride;1-[4-(azetidin-3-yl)piperazin-1-yl]ethanone;1-[6-bromo-2-(3-piperazin-1-ylazetidine-1-carbonyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[6-bromo-2-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidine-1-carbonyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone;hydride;methane;methanol;methyl 1-acetyl-6-bromo-3,4-dihydro-2H-quinoline-2-carboxylate;methyl 6-bromo-1,2,3,4-tetrahydroquinoline-2-carboxylate;oxido formate;1,3-thiazole-2-carboxylic acid;hydroxide (PubChem CID 159538954) has the molecular formula C118H154Br6ClK2LiN20O25S2 and a molecular weight of 2916.79 g/mol. Its IUPAC name is lithium;dipotassium;1-[4-[1-(1-acetyl-6-bromo-3,4-dihydro-2H-quinoline-2-carbonyl)azetidin-3-yl]piperazin-1-yl]ethanone;1-acetyl-6-bromo-3,4-dihydro-2H-quinoline-2-carboxylic acid;acetyl chloride;1-[4-(azetidin-3-yl)piperazin-1-yl]ethanone;1-[6-bromo-2-(3-piperazin-1-ylazetidine-1-carbonyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[6-bromo-2-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidine-1-carbonyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone;hydride;methane;methanol;methyl 1-acetyl-6-bromo-3,4-dihydro-2H-quinoline-2-carboxylate;methyl 6-bromo-1,2,3,4-tetrahydroquinoline-2-carboxylate;oxido formate;1,3-thiazole-2-carboxylic acid;hydroxide.

Molecular Properties

• Compound Name: lithium;dipotassium;1-[4-[1-(1-acetyl-6-bromo-3,4-dihydro-2H-quinoline-2-carbonyl)azetidin-3-yl]piperazin-1-yl]ethanone;1-acetyl-6-bromo-3,4-dihydro-2H-quinoline-2-carboxylic acid;acetyl chloride;1-[4-(azetidin-3-yl)piperazin-1-yl]ethanone;1-[6-bromo-2-(3-piperazin-1-ylazetidine-1-carbonyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[6-bromo-2-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidine-1-carbonyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone;hydride;methane;methanol;methyl 1-acetyl-6-bromo-3,4-dihydro-2H-quinoline-2-carboxylate;methyl 6-bromo-1,2,3,4-tetrahydroquinoline-2-carboxylate;oxido formate;1,3-thiazole-2-carboxylic acid;hydroxide
• PubChem CID: 159538954
• Molecular Formula: C118H154Br6ClK2LiN20O25S2
• Molecular Weight: 2916.79 g/mol
• Exact Mass: 2908.51
• IUPAC Name: lithium;dipotassium;1-[4-[1-(1-acetyl-6-bromo-3,4-dihydro-2H-quinoline-2-carbonyl)azetidin-3-yl]piperazin-1-yl]ethanone;1-acetyl-6-bromo-3,4-dihydro-2H-quinoline-2-carboxylic acid;acetyl chloride;1-[4-(azetidin-3-yl)piperazin-1-yl]ethanone;1-[6-bromo-2-(3-piperazin-1-ylazetidine-1-carbonyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[6-bromo-2-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidine-1-carbonyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone;hydride;methane;methanol;methyl 1-acetyl-6-bromo-3,4-dihydro-2H-quinoline-2-carboxylate;methyl 6-bromo-1,2,3,4-tetrahydroquinoline-2-carboxylate;oxido formate;1,3-thiazole-2-carboxylic acid;hydroxide
• SMILES: C.C.CC(=O)Cl.CC(=O)N1CCN(C2CN(C(=O)C3CCc4cc(Br)ccc4N3C(C)=O)C2)CC1.CC(=O)N1CCN(C2CNC2)CC1.CC(=O)N1c2ccc(Br)cc2CCC1C(=O)N1CC(N2CCN(C(=O)c3nccs3)CC2)C1.CC(=O)N1c2ccc(Br)cc2CCC1C(=O)N1CC(N2CCNCC2)C1.CC(=O)N1c2ccc(Br)cc2CCC1C(=O)O.CO.COC(=O)C1CCc2cc(Br)ccc2N1.COC(=O)C1CCc2cc(Br)ccc2N1C(C)=O.O=C(O)c1nccs1.O=CO[O-].[H-].[K+].[K+].[Li+].[OH-]
• InChI: InChI=1S/C23H26BrN5O3S.C21H27BrN4O3.C19H25BrN4O2.C13H14BrNO3.C12H12BrNO3.C11H12BrNO2.C9H17N3O.C4H3NO2S.C2H3ClO.CH2O3.CH4O.2CH4.2K.Li.H2O.H/c1-15(30)29-19-5-3-17(24)12-16(19)2-4-20(29)22(31)28-13-18(14-28)26-7-9-27(10-8-26)23(32)21-25-6-11-33-21;1-14(27)23-7-9-24(10-8-23)18-12-25(13-18)21(29)20-5-3-16-11-17(22)4-6-19(16)26(20)15(2)28;1-13(25)24-17-5-3-15(20)10-14(17)2-4-18(24)19(26)23-11-16(12-23)22-8-6-21-7-9-22;1-8(16)15-11-6-4-10(14)7-9(11)3-5-12(15)13(17)18-2;1-7(15)14-10-5-3-9(13)6-8(10)2-4-11(14)12(16)17;1-15-11(14)10-4-2-7-6-8(12)3-5-9(7)13-10;1-8(13)11-2-4-12(5-3-11)9-6-10-7-9;6-4(7)3-5-1-2-8-3;1-2(3)4;2-1-4-3;1-2;;;;;;;/h3,5-6,11-12,18,20H,2,4,7-10,13-14H2,1H3;4,6,11,18,20H,3,5,7-10,12-13H2,1-2H3;3,5,10,16,18,21H,2,4,6-9,11-12H2,1H3;4,6-7,12H,3,5H2,1-2H3;3,5-6,11H,2,4H2,1H3,(H,16,17);3,5-6,10,13H,2,4H2,1H3;9-10H,2-7H2,1H3;1-2H,(H,6,7);1H3;1,3H;2H,1H3;2*1H4;;;;1H2;/q;;;;;;;;;;;;;3*+1;;-1/p-2
• InChIKey: IDSVPSHFPOQBJI-UHFFFAOYSA-L
• XLogP: 2.81
• TPSA: 542.10 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 34
• Rotatable Bonds: 13
• Heavy Atoms: 175
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2916.79
LogP ≤ 5	2.81
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of lithium;dipotassium;1-[4-[1-(1-acetyl-6-bromo-3,4-dihydro-2H-quinoline-2-carbonyl)azetidin-3-yl]piperazin-1-yl]ethanone;1-acetyl-6-bromo-3,4-dihydro-2H-quinoline-2-carboxylic acid;acetyl chloride;1-[4-(azetidin-3-yl)piperazin-1-yl]ethanone;1-[6-bromo-2-(3-piperazin-1-ylazetidine-1-carbonyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[6-bromo-2-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidine-1-carbonyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone;hydride;methane;methanol;methyl 1-acetyl-6-bromo-3,4-dihydro-2H-quinoline-2-carboxylate;methyl 6-bromo-1,2,3,4-tetrahydroquinoline-2-carboxylate;oxido formate;1,3-thiazole-2-carboxylic acid;hydroxide?

The IUPAC name of lithium;dipotassium;1-[4-[1-(1-acetyl-6-bromo-3,4-dihydro-2H-quinoline-2-carbonyl)azetidin-3-yl]piperazin-1-yl]ethanone;1-acetyl-6-bromo-3,4-dihydro-2H-quinoline-2-carboxylic acid;acetyl chloride;1-[4-(azetidin-3-yl)piperazin-1-yl]ethanone;1-[6-bromo-2-(3-piperazin-1-ylazetidine-1-carbonyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[6-bromo-2-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidine-1-carbonyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone;hydride;methane;methanol;methyl 1-acetyl-6-bromo-3,4-dihydro-2H-quinoline-2-carboxylate;methyl 6-bromo-1,2,3,4-tetrahydroquinoline-2-carboxylate;oxido formate;1,3-thiazole-2-carboxylic acid;hydroxide (CID 159538954) is lithium;dipotassium;1-[4-[1-(1-acetyl-6-bromo-3,4-dihydro-2H-quinoline-2-carbonyl)azetidin-3-yl]piperazin-1-yl]ethanone;1-acetyl-6-bromo-3,4-dihydro-2H-quinoline-2-carboxylic acid;acetyl chloride;1-[4-(azetidin-3-yl)piperazin-1-yl]ethanone;1-[6-bromo-2-(3-piperazin-1-ylazetidine-1-carbonyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[6-bromo-2-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidine-1-carbonyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone;hydride;methane;methanol;methyl 1-acetyl-6-bromo-3,4-dihydro-2H-quinoline-2-carboxylate;methyl 6-bromo-1,2,3,4-tetrahydroquinoline-2-carboxylate;oxido formate;1,3-thiazole-2-carboxylic acid;hydroxide.

What is the SMILES notation for lithium;dipotassium;1-[4-[1-(1-acetyl-6-bromo-3,4-dihydro-2H-quinoline-2-carbonyl)azetidin-3-yl]piperazin-1-yl]ethanone;1-acetyl-6-bromo-3,4-dihydro-2H-quinoline-2-carboxylic acid;acetyl chloride;1-[4-(azetidin-3-yl)piperazin-1-yl]ethanone;1-[6-bromo-2-(3-piperazin-1-ylazetidine-1-carbonyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[6-bromo-2-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidine-1-carbonyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone;hydride;methane;methanol;methyl 1-acetyl-6-bromo-3,4-dihydro-2H-quinoline-2-carboxylate;methyl 6-bromo-1,2,3,4-tetrahydroquinoline-2-carboxylate;oxido formate;1,3-thiazole-2-carboxylic acid;hydroxide?

The canonical SMILES for lithium;dipotassium;1-[4-[1-(1-acetyl-6-bromo-3,4-dihydro-2H-quinoline-2-carbonyl)azetidin-3-yl]piperazin-1-yl]ethanone;1-acetyl-6-bromo-3,4-dihydro-2H-quinoline-2-carboxylic acid;acetyl chloride;1-[4-(azetidin-3-yl)piperazin-1-yl]ethanone;1-[6-bromo-2-(3-piperazin-1-ylazetidine-1-carbonyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[6-bromo-2-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidine-1-carbonyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone;hydride;methane;methanol;methyl 1-acetyl-6-bromo-3,4-dihydro-2H-quinoline-2-carboxylate;methyl 6-bromo-1,2,3,4-tetrahydroquinoline-2-carboxylate;oxido formate;1,3-thiazole-2-carboxylic acid;hydroxide is C.C.CC(=O)Cl.CC(=O)N1CCN(C2CN(C(=O)C3CCc4cc(Br)ccc4N3C(C)=O)C2)CC1.CC(=O)N1CCN(C2CNC2)CC1.CC(=O)N1c2ccc(Br)cc2CCC1C(=O)N1CC(N2CCN(C(=O)c3nccs3)CC2)C1.CC(=O)N1c2ccc(Br)cc2CCC1C(=O)N1CC(N2CCNCC2)C1.CC(=O)N1c2ccc(Br)cc2CCC1C(=O)O.CO.COC(=O)C1CCc2cc(Br)ccc2N1.COC(=O)C1CCc2cc(Br)ccc2N1C(C)=O.O=C(O)c1nccs1.O=CO[O-].[H-].[K+].[K+].[Li+].[OH-].

What is the InChIKey of lithium;dipotassium;1-[4-[1-(1-acetyl-6-bromo-3,4-dihydro-2H-quinoline-2-carbonyl)azetidin-3-yl]piperazin-1-yl]ethanone;1-acetyl-6-bromo-3,4-dihydro-2H-quinoline-2-carboxylic acid;acetyl chloride;1-[4-(azetidin-3-yl)piperazin-1-yl]ethanone;1-[6-bromo-2-(3-piperazin-1-ylazetidine-1-carbonyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[6-bromo-2-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidine-1-carbonyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone;hydride;methane;methanol;methyl 1-acetyl-6-bromo-3,4-dihydro-2H-quinoline-2-carboxylate;methyl 6-bromo-1,2,3,4-tetrahydroquinoline-2-carboxylate;oxido formate;1,3-thiazole-2-carboxylic acid;hydroxide?

The InChIKey is IDSVPSHFPOQBJI-UHFFFAOYSA-L. The full InChI is InChI=1S/C23H26BrN5O3S.C21H27BrN4O3.C19H25BrN4O2.C13H14BrNO3.C12H12BrNO3.C11H12BrNO2.C9H17N3O.C4H3NO2S.C2H3ClO.CH2O3.CH4O.2CH4.2K.Li.H2O.H/c1-15(30)29-19-5-3-17(24)12-16(19)2-4-20(29)22(31)28-13-18(14-28)26-7-9-27(10-8-26)23(32)21-25-6-11-33-21;1-14(27)23-7-9-24(10-8-23)18-12-25(13-18)21(29)20-5-3-16-11-17(22)4-6-19(16)26(20)15(2)28;1-13(25)24-17-5-3-15(20)10-14(17)2-4-18(24)19(26)23-11-16(12-23)22-8-6-21-7-9-22;1-8(16)15-11-6-4-10(14)7-9(11)3-5-12(15)13(17)18-2;1-7(15)14-10-5-3-9(13)6-8(10)2-4-11(14)12(16)17;1-15-11(14)10-4-2-7-6-8(12)3-5-9(7)13-10;1-8(13)11-2-4-12(5-3-11)9-6-10-7-9;6-4(7)3-5-1-2-8-3;1-2(3)4;2-1-4-3;1-2;;;;;;;/h3,5-6,11-12,18,20H,2,4,7-10,13-14H2,1H3;4,6,11,18,20H,3,5,7-10,12-13H2,1-2H3;3,5,10,16,18,21H,2,4,6-9,11-12H2,1H3;4,6-7,12H,3,5H2,1-2H3;3,5-6,11H,2,4H2,1H3,(H,16,17);3,5-6,10,13H,2,4H2,1H3;9-10H,2-7H2,1H3;1-2H,(H,6,7);1H3;1,3H;2H,1H3;2*1H4;;;;1H2;/q;;;;;;;;;;;;;3*+1;;-1/p-2.

What are the key properties of lithium;dipotassium;1-[4-[1-(1-acetyl-6-bromo-3,4-dihydro-2H-quinoline-2-carbonyl)azetidin-3-yl]piperazin-1-yl]ethanone;1-acetyl-6-bromo-3,4-dihydro-2H-quinoline-2-carboxylic acid;acetyl chloride;1-[4-(azetidin-3-yl)piperazin-1-yl]ethanone;1-[6-bromo-2-(3-piperazin-1-ylazetidine-1-carbonyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[6-bromo-2-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidine-1-carbonyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone;hydride;methane;methanol;methyl 1-acetyl-6-bromo-3,4-dihydro-2H-quinoline-2-carboxylate;methyl 6-bromo-1,2,3,4-tetrahydroquinoline-2-carboxylate;oxido formate;1,3-thiazole-2-carboxylic acid;hydroxide?

lithium;dipotassium;1-[4-[1-(1-acetyl-6-bromo-3,4-dihydro-2H-quinoline-2-carbonyl)azetidin-3-yl]piperazin-1-yl]ethanone;1-acetyl-6-bromo-3,4-dihydro-2H-quinoline-2-carboxylic acid;acetyl chloride;1-[4-(azetidin-3-yl)piperazin-1-yl]ethanone;1-[6-bromo-2-(3-piperazin-1-ylazetidine-1-carbonyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[6-bromo-2-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidine-1-carbonyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone;hydride;methane;methanol;methyl 1-acetyl-6-bromo-3,4-dihydro-2H-quinoline-2-carboxylate;methyl 6-bromo-1,2,3,4-tetrahydroquinoline-2-carboxylate;oxido formate;1,3-thiazole-2-carboxylic acid;hydroxide has a molecular weight of 2916.79 g/mol, XLogP of 2.81, 13 rotatable bonds, 6 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;dipotassium;1-[4-[1-(1-acetyl-6-bromo-3,4-dihydro-2H-quinoline-2-carbonyl)azetidin-3-yl]piperazin-1-yl]ethanone;1-acetyl-6-bromo-3,4-dihydro-2H-quinoline-2-carboxylic acid;acetyl chloride;1-[4-(azetidin-3-yl)piperazin-1-yl]ethanone;1-[6-bromo-2-(3-piperazin-1-ylazetidine-1-carbonyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone;1-[6-bromo-2-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidine-1-carbonyl]-3,4-dihydro-2H-quinolin-1-yl]ethanone;hydride;methane;methanol;methyl 1-acetyl-6-bromo-3,4-dihydro-2H-quinoline-2-carboxylate;methyl 6-bromo-1,2,3,4-tetrahydroquinoline-2-carboxylate;oxido formate;1,3-thiazole-2-carboxylic acid;hydroxide is sourced from PubChem (CID 159538954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).