lithium;6-amino-4,7-dimethyl-1H-quinolin-2-one;N-(4,7-dimethyl-2-oxo-1H-quinolin-6-yl)-5-(1-methyltetrazol-5-yl)-2-morpholin-4-ylpyridine-3-carboxamide;N-(4,7-dimethyl-2-oxo-1H-quinolin-6-yl)-5-(2-methyltetrazol-5-yl)-2-morpholin-4-ylpyridine-3-carboxamide;methane;methyl 5-bromo-2-morpholin-4-ylpyridine-3-carboxylate;methyl 5-(1-methyltetrazol-5-yl)-2-morpholin-4-ylpyridine-3-carboxylate;5-(1-methyltetrazol-5-yl)-2-morpholin-4-ylpyridine-3-carboxylic acid;hydroxide;hydrate

C94H110BrLiN32O18 — CID 159522440

About lithium;6-amino-4,7-dimethyl-1H-quinolin-2-one;N-(4,7-dimethyl-2-oxo-1H-quinolin-6-yl)-5-(1-methyltetrazol-5-yl)-2-morpholin-4-ylpyridine-3-carboxamide;N-(4,7-dimethyl-2-oxo-1H-quinolin-6-yl)-5-(2-methyltetrazol-5-yl)-2-morpholin-4-ylpyridine-3-carboxamide;methane;methyl 5-bromo-2-morpholin-4-ylpyridine-3-carboxylate;methyl 5-(1-methyltetrazol-5-yl)-2-morpholin-4-ylpyridine-3-carboxylate;5-(1-methyltetrazol-5-yl)-2-morpholin-4-ylpyridine-3-carboxylic acid;hydroxide;hydrate

lithium;6-amino-4,7-dimethyl-1H-quinolin-2-one;N-(4,7-dimethyl-2-oxo-1H-quinolin-6-yl)-5-(1-methyltetrazol-5-yl)-2-morpholin-4-ylpyridine-3-carboxamide;N-(4,7-dimethyl-2-oxo-1H-quinolin-6-yl)-5-(2-methyltetrazol-5-yl)-2-morpholin-4-ylpyridine-3-carboxamide;methane;methyl 5-bromo-2-morpholin-4-ylpyridine-3-carboxylate;methyl 5-(1-methyltetrazol-5-yl)-2-morpholin-4-ylpyridine-3-carboxylate;5-(1-methyltetrazol-5-yl)-2-morpholin-4-ylpyridine-3-carboxylic acid;hydroxide;hydrate (PubChem CID 159522440) has the molecular formula C94H110BrLiN32O18 and a molecular weight of 2062.96 g/mol. Its IUPAC name is lithium;6-amino-4,7-dimethyl-1H-quinolin-2-one;N-(4,7-dimethyl-2-oxo-1H-quinolin-6-yl)-5-(1-methyltetrazol-5-yl)-2-morpholin-4-ylpyridine-3-carboxamide;N-(4,7-dimethyl-2-oxo-1H-quinolin-6-yl)-5-(2-methyltetrazol-5-yl)-2-morpholin-4-ylpyridine-3-carboxamide;methane;methyl 5-bromo-2-morpholin-4-ylpyridine-3-carboxylate;methyl 5-(1-methyltetrazol-5-yl)-2-morpholin-4-ylpyridine-3-carboxylate;5-(1-methyltetrazol-5-yl)-2-morpholin-4-ylpyridine-3-carboxylic acid;hydroxide;hydrate.

Molecular Properties

• Compound Name: lithium;6-amino-4,7-dimethyl-1H-quinolin-2-one;N-(4,7-dimethyl-2-oxo-1H-quinolin-6-yl)-5-(1-methyltetrazol-5-yl)-2-morpholin-4-ylpyridine-3-carboxamide;N-(4,7-dimethyl-2-oxo-1H-quinolin-6-yl)-5-(2-methyltetrazol-5-yl)-2-morpholin-4-ylpyridine-3-carboxamide;methane;methyl 5-bromo-2-morpholin-4-ylpyridine-3-carboxylate;methyl 5-(1-methyltetrazol-5-yl)-2-morpholin-4-ylpyridine-3-carboxylate;5-(1-methyltetrazol-5-yl)-2-morpholin-4-ylpyridine-3-carboxylic acid;hydroxide;hydrate
• PubChem CID: 159522440
• Molecular Formula: C94H110BrLiN32O18
• Molecular Weight: 2062.96 g/mol
• Exact Mass: 2060.80
• IUPAC Name: lithium;6-amino-4,7-dimethyl-1H-quinolin-2-one;N-(4,7-dimethyl-2-oxo-1H-quinolin-6-yl)-5-(1-methyltetrazol-5-yl)-2-morpholin-4-ylpyridine-3-carboxamide;N-(4,7-dimethyl-2-oxo-1H-quinolin-6-yl)-5-(2-methyltetrazol-5-yl)-2-morpholin-4-ylpyridine-3-carboxamide;methane;methyl 5-bromo-2-morpholin-4-ylpyridine-3-carboxylate;methyl 5-(1-methyltetrazol-5-yl)-2-morpholin-4-ylpyridine-3-carboxylate;5-(1-methyltetrazol-5-yl)-2-morpholin-4-ylpyridine-3-carboxylic acid;hydroxide;hydrate
• SMILES: C.COC(=O)c1cc(-c2nnnn2C)cnc1N1CCOCC1.COC(=O)c1cc(Br)cnc1N1CCOCC1.Cc1cc2[nH]c(=O)cc(C)c2cc1N.Cc1cc2[nH]c(=O)cc(C)c2cc1NC(=O)c1cc(-c2nnn(C)n2)cnc1N1CCOCC1.Cc1cc2[nH]c(=O)cc(C)c2cc1NC(=O)c1cc(-c2nnnn2C)cnc1N1CCOCC1.Cn1nnnc1-c1cnc(N2CCOCC2)c(C(=O)O)c1.O.[Li+].[OH-]
• InChI: InChI=1S/2C23H24N8O3.C13H16N6O3.C12H14N6O3.C11H13BrN2O3.C11H12N2O.CH4.Li.2H2O/c1-13-9-20(32)25-19-8-14(2)18(11-16(13)19)26-23(33)17-10-15(21-27-28-29-30(21)3)12-24-22(17)31-4-6-34-7-5-31;1-13-9-20(32)25-19-8-14(2)18(11-16(13)19)26-23(33)17-10-15(21-27-29-30(3)28-21)12-24-22(17)31-4-6-34-7-5-31;1-18-11(15-16-17-18)9-7-10(13(20)21-2)12(14-8-9)19-3-5-22-6-4-19;1-17-10(14-15-16-17)8-6-9(12(19)20)11(13-7-8)18-2-4-21-5-3-18;1-16-11(15)9-6-8(12)7-13-10(9)14-2-4-17-5-3-14;1-6-4-11(14)13-10-3-7(2)9(12)5-8(6)10;;;;/h2*8-12H,4-7H2,1-3H3,(H,25,32)(H,26,33);7-8H,3-6H2,1-2H3;6-7H,2-5H2,1H3,(H,19,20);6-7H,2-5H2,1H3;3-5H,12H2,1-2H3,(H,13,14);1H4;;2*1H2/q;;;;;;;+1;;/p-1
• InChIKey: UOFHXMSCBGCMNB-UHFFFAOYSA-M
• XLogP: 3.17
• TPSA: 635.40 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 43
• Rotatable Bonds: 16
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2062.96
LogP ≤ 5	3.17
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	43

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of lithium;6-amino-4,7-dimethyl-1H-quinolin-2-one;N-(4,7-dimethyl-2-oxo-1H-quinolin-6-yl)-5-(1-methyltetrazol-5-yl)-2-morpholin-4-ylpyridine-3-carboxamide;N-(4,7-dimethyl-2-oxo-1H-quinolin-6-yl)-5-(2-methyltetrazol-5-yl)-2-morpholin-4-ylpyridine-3-carboxamide;methane;methyl 5-bromo-2-morpholin-4-ylpyridine-3-carboxylate;methyl 5-(1-methyltetrazol-5-yl)-2-morpholin-4-ylpyridine-3-carboxylate;5-(1-methyltetrazol-5-yl)-2-morpholin-4-ylpyridine-3-carboxylic acid;hydroxide;hydrate?

The IUPAC name of lithium;6-amino-4,7-dimethyl-1H-quinolin-2-one;N-(4,7-dimethyl-2-oxo-1H-quinolin-6-yl)-5-(1-methyltetrazol-5-yl)-2-morpholin-4-ylpyridine-3-carboxamide;N-(4,7-dimethyl-2-oxo-1H-quinolin-6-yl)-5-(2-methyltetrazol-5-yl)-2-morpholin-4-ylpyridine-3-carboxamide;methane;methyl 5-bromo-2-morpholin-4-ylpyridine-3-carboxylate;methyl 5-(1-methyltetrazol-5-yl)-2-morpholin-4-ylpyridine-3-carboxylate;5-(1-methyltetrazol-5-yl)-2-morpholin-4-ylpyridine-3-carboxylic acid;hydroxide;hydrate (CID 159522440) is lithium;6-amino-4,7-dimethyl-1H-quinolin-2-one;N-(4,7-dimethyl-2-oxo-1H-quinolin-6-yl)-5-(1-methyltetrazol-5-yl)-2-morpholin-4-ylpyridine-3-carboxamide;N-(4,7-dimethyl-2-oxo-1H-quinolin-6-yl)-5-(2-methyltetrazol-5-yl)-2-morpholin-4-ylpyridine-3-carboxamide;methane;methyl 5-bromo-2-morpholin-4-ylpyridine-3-carboxylate;methyl 5-(1-methyltetrazol-5-yl)-2-morpholin-4-ylpyridine-3-carboxylate;5-(1-methyltetrazol-5-yl)-2-morpholin-4-ylpyridine-3-carboxylic acid;hydroxide;hydrate.

What is the SMILES notation for lithium;6-amino-4,7-dimethyl-1H-quinolin-2-one;N-(4,7-dimethyl-2-oxo-1H-quinolin-6-yl)-5-(1-methyltetrazol-5-yl)-2-morpholin-4-ylpyridine-3-carboxamide;N-(4,7-dimethyl-2-oxo-1H-quinolin-6-yl)-5-(2-methyltetrazol-5-yl)-2-morpholin-4-ylpyridine-3-carboxamide;methane;methyl 5-bromo-2-morpholin-4-ylpyridine-3-carboxylate;methyl 5-(1-methyltetrazol-5-yl)-2-morpholin-4-ylpyridine-3-carboxylate;5-(1-methyltetrazol-5-yl)-2-morpholin-4-ylpyridine-3-carboxylic acid;hydroxide;hydrate?

The canonical SMILES for lithium;6-amino-4,7-dimethyl-1H-quinolin-2-one;N-(4,7-dimethyl-2-oxo-1H-quinolin-6-yl)-5-(1-methyltetrazol-5-yl)-2-morpholin-4-ylpyridine-3-carboxamide;N-(4,7-dimethyl-2-oxo-1H-quinolin-6-yl)-5-(2-methyltetrazol-5-yl)-2-morpholin-4-ylpyridine-3-carboxamide;methane;methyl 5-bromo-2-morpholin-4-ylpyridine-3-carboxylate;methyl 5-(1-methyltetrazol-5-yl)-2-morpholin-4-ylpyridine-3-carboxylate;5-(1-methyltetrazol-5-yl)-2-morpholin-4-ylpyridine-3-carboxylic acid;hydroxide;hydrate is C.COC(=O)c1cc(-c2nnnn2C)cnc1N1CCOCC1.COC(=O)c1cc(Br)cnc1N1CCOCC1.Cc1cc2[nH]c(=O)cc(C)c2cc1N.Cc1cc2[nH]c(=O)cc(C)c2cc1NC(=O)c1cc(-c2nnn(C)n2)cnc1N1CCOCC1.Cc1cc2[nH]c(=O)cc(C)c2cc1NC(=O)c1cc(-c2nnnn2C)cnc1N1CCOCC1.Cn1nnnc1-c1cnc(N2CCOCC2)c(C(=O)O)c1.O.[Li+].[OH-].

What is the InChIKey of lithium;6-amino-4,7-dimethyl-1H-quinolin-2-one;N-(4,7-dimethyl-2-oxo-1H-quinolin-6-yl)-5-(1-methyltetrazol-5-yl)-2-morpholin-4-ylpyridine-3-carboxamide;N-(4,7-dimethyl-2-oxo-1H-quinolin-6-yl)-5-(2-methyltetrazol-5-yl)-2-morpholin-4-ylpyridine-3-carboxamide;methane;methyl 5-bromo-2-morpholin-4-ylpyridine-3-carboxylate;methyl 5-(1-methyltetrazol-5-yl)-2-morpholin-4-ylpyridine-3-carboxylate;5-(1-methyltetrazol-5-yl)-2-morpholin-4-ylpyridine-3-carboxylic acid;hydroxide;hydrate?

The InChIKey is UOFHXMSCBGCMNB-UHFFFAOYSA-M. The full InChI is InChI=1S/2C23H24N8O3.C13H16N6O3.C12H14N6O3.C11H13BrN2O3.C11H12N2O.CH4.Li.2H2O/c1-13-9-20(32)25-19-8-14(2)18(11-16(13)19)26-23(33)17-10-15(21-27-28-29-30(21)3)12-24-22(17)31-4-6-34-7-5-31;1-13-9-20(32)25-19-8-14(2)18(11-16(13)19)26-23(33)17-10-15(21-27-29-30(3)28-21)12-24-22(17)31-4-6-34-7-5-31;1-18-11(15-16-17-18)9-7-10(13(20)21-2)12(14-8-9)19-3-5-22-6-4-19;1-17-10(14-15-16-17)8-6-9(12(19)20)11(13-7-8)18-2-4-21-5-3-18;1-16-11(15)9-6-8(12)7-13-10(9)14-2-4-17-5-3-14;1-6-4-11(14)13-10-3-7(2)9(12)5-8(6)10;;;;/h2*8-12H,4-7H2,1-3H3,(H,25,32)(H,26,33);7-8H,3-6H2,1-2H3;6-7H,2-5H2,1H3,(H,19,20);6-7H,2-5H2,1H3;3-5H,12H2,1-2H3,(H,13,14);1H4;;2*1H2/q;;;;;;;+1;;/p-1.

What are the key properties of lithium;6-amino-4,7-dimethyl-1H-quinolin-2-one;N-(4,7-dimethyl-2-oxo-1H-quinolin-6-yl)-5-(1-methyltetrazol-5-yl)-2-morpholin-4-ylpyridine-3-carboxamide;N-(4,7-dimethyl-2-oxo-1H-quinolin-6-yl)-5-(2-methyltetrazol-5-yl)-2-morpholin-4-ylpyridine-3-carboxamide;methane;methyl 5-bromo-2-morpholin-4-ylpyridine-3-carboxylate;methyl 5-(1-methyltetrazol-5-yl)-2-morpholin-4-ylpyridine-3-carboxylate;5-(1-methyltetrazol-5-yl)-2-morpholin-4-ylpyridine-3-carboxylic acid;hydroxide;hydrate?

lithium;6-amino-4,7-dimethyl-1H-quinolin-2-one;N-(4,7-dimethyl-2-oxo-1H-quinolin-6-yl)-5-(1-methyltetrazol-5-yl)-2-morpholin-4-ylpyridine-3-carboxamide;N-(4,7-dimethyl-2-oxo-1H-quinolin-6-yl)-5-(2-methyltetrazol-5-yl)-2-morpholin-4-ylpyridine-3-carboxamide;methane;methyl 5-bromo-2-morpholin-4-ylpyridine-3-carboxylate;methyl 5-(1-methyltetrazol-5-yl)-2-morpholin-4-ylpyridine-3-carboxylate;5-(1-methyltetrazol-5-yl)-2-morpholin-4-ylpyridine-3-carboxylic acid;hydroxide;hydrate has a molecular weight of 2062.96 g/mol, XLogP of 3.17, 16 rotatable bonds, 7 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;6-amino-4,7-dimethyl-1H-quinolin-2-one;N-(4,7-dimethyl-2-oxo-1H-quinolin-6-yl)-5-(1-methyltetrazol-5-yl)-2-morpholin-4-ylpyridine-3-carboxamide;N-(4,7-dimethyl-2-oxo-1H-quinolin-6-yl)-5-(2-methyltetrazol-5-yl)-2-morpholin-4-ylpyridine-3-carboxamide;methane;methyl 5-bromo-2-morpholin-4-ylpyridine-3-carboxylate;methyl 5-(1-methyltetrazol-5-yl)-2-morpholin-4-ylpyridine-3-carboxylate;5-(1-methyltetrazol-5-yl)-2-morpholin-4-ylpyridine-3-carboxylic acid;hydroxide;hydrate is sourced from PubChem (CID 159522440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).