magnesium;6-amino-4-methyl-1H-quinolin-2-one;carbanide;2-chloro-5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-4-carboxamide;2-chloro-5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]pyridine-4-carboxylic acid;2-cyano-5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-4-carboxamide;N,N-dimethyl-1-pyrrolidin-2-ylmethanamine;methyl 2-chloro-5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]pyridine-4-carboxylate;methyl 2-chloro-5-fluoropyridine-4-carboxylate;bromide

C99H124BrCl4FMgN22O11 — CID 158016232

IUPACmagnesium;6-amino-4-methyl-1H-quinolin-2-one;carbanide;2-chloro-5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-4-carboxamide;2-chloro-5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]pyridine-4-carboxylic acid;2-cyano-5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-4-carboxamide;N,N-dimethyl-1-pyrrolidin-2-ylmethanamine;methyl 2-chloro-5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]pyridine-4-carboxylate;methyl 2-chloro-5-fluoropyridine-4-carboxylate;bromide
SMILESCN(C)CC1CCCN1.CN(C)CC1CCCN1c1cnc(Cl)cc1C(=O)O.COC(=O)c1cc(Cl)ncc1F.COC(=O)c1cc(Cl)ncc1N1CCCC1CN(C)C.Cc1cc(=O)[nH]c2ccc(N)cc12.Cc1cc(=O)[nH]c2ccc(NC(=O)c3cc(C#N)ncc3N3CCCC3CN(C)C)cc12.Cc1cc(=O)[nH]c2ccc(NC(=O)c3cc(Cl)ncc3N3CCCC3CN(C)C)cc12.[Br-].[CH3-].[Mg+2]
InChIInChI=1S/C24H26N6O2.C23H26ClN5O2.C14H20ClN3O2.C13H18ClN3O2.C10H10N2O.C7H5ClFNO2.C7H16N2.CH3.BrH.Mg/c1-15-9-23(31)28-21-7-6-16(10-19(15)21)27-24(32)20-11-17(12-25)26-13-22(20)30-8-4-5-18(30)14-29(2)3;1-14-9-22(30)27-19-7-6-15(10-17(14)19)26-23(31)18-11-21(24)25-12-20(18)29-8-4-5-16(29)13-28(2)3;1-17(2)9-10-5-4-6-18(10)12-8-16-13(15)7-11(12)14(19)20-3;1-16(2)8-9-4-3-5-17(9)11-7-15-12(14)6-10(11)13(18)19;1-6-4-10(13)12-9-3-2-7(11)5-8(6)9;1-12-7(11)4-2-6(8)10-3-5(4)9;1-9(2)6-7-4-3-5-8-7;;;/h6-7,9-11,13,18H,4-5,8,14H2,1-3H3,(H,27,32)(H,28,31);6-7,9-12,16H,4-5,8,13H2,1-3H3,(H,26,31)(H,27,30);7-8,10H,4-6,9H2,1-3H3;6-7,9H,3-5,8H2,1-2H3,(H,18,19);2-5H,11H2,1H3,(H,12,13);2-3H,1H3;7-8H,3-6H2,1-2H3;1H3;1H;/q;;;;;;;-1;;+2/p-1
InChIKeyZPNDRMWBLMBYBR-UHFFFAOYSA-M
MW2063.24 g/mol
LogP11.02
Rot. Bonds21

About magnesium;6-amino-4-methyl-1H-quinolin-2-one;carbanide;2-chloro-5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-4-carboxamide;2-chloro-5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]pyridine-4-carboxylic acid;2-cyano-5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-4-carboxamide;N,N-dimethyl-1-pyrrolidin-2-ylmethanamine;methyl 2-chloro-5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]pyridine-4-carboxylate;methyl 2-chloro-5-fluoropyridine-4-carboxylate;bromide

magnesium;6-amino-4-methyl-1H-quinolin-2-one;carbanide;2-chloro-5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-4-carboxamide;2-chloro-5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]pyridine-4-carboxylic acid;2-cyano-5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-4-carboxamide;N,N-dimethyl-1-pyrrolidin-2-ylmethanamine;methyl 2-chloro-5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]pyridine-4-carboxylate;methyl 2-chloro-5-fluoropyridine-4-carboxylate;bromide (PubChem CID 158016232) has the molecular formula C99H124BrCl4FMgN22O11 and a molecular weight of 2063.24 g/mol. Its IUPAC name is magnesium;6-amino-4-methyl-1H-quinolin-2-one;carbanide;2-chloro-5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-4-carboxamide;2-chloro-5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]pyridine-4-carboxylic acid;2-cyano-5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-4-carboxamide;N,N-dimethyl-1-pyrrolidin-2-ylmethanamine;methyl 2-chloro-5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]pyridine-4-carboxylate;methyl 2-chloro-5-fluoropyridine-4-carboxylate;bromide.

Molecular Properties

Compound Namemagnesium;6-amino-4-methyl-1H-quinolin-2-one;carbanide;2-chloro-5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-4-carboxamide;2-chloro-5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]pyridine-4-carboxylic acid;2-cyano-5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-4-carboxamide;N,N-dimethyl-1-pyrrolidin-2-ylmethanamine;methyl 2-chloro-5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]pyridine-4-carboxylate;methyl 2-chloro-5-fluoropyridine-4-carboxylate;bromide
PubChem CID158016232
Molecular FormulaC99H124BrCl4FMgN22O11
Molecular Weight2063.24 g/mol
Exact Mass2058.76
IUPAC Namemagnesium;6-amino-4-methyl-1H-quinolin-2-one;carbanide;2-chloro-5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-4-carboxamide;2-chloro-5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]pyridine-4-carboxylic acid;2-cyano-5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-4-carboxamide;N,N-dimethyl-1-pyrrolidin-2-ylmethanamine;methyl 2-chloro-5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]pyridine-4-carboxylate;methyl 2-chloro-5-fluoropyridine-4-carboxylate;bromide
SMILESCN(C)CC1CCCN1.CN(C)CC1CCCN1c1cnc(Cl)cc1C(=O)O.COC(=O)c1cc(Cl)ncc1F.COC(=O)c1cc(Cl)ncc1N1CCCC1CN(C)C.Cc1cc(=O)[nH]c2ccc(N)cc12.Cc1cc(=O)[nH]c2ccc(NC(=O)c3cc(C#N)ncc3N3CCCC3CN(C)C)cc12.Cc1cc(=O)[nH]c2ccc(NC(=O)c3cc(Cl)ncc3N3CCCC3CN(C)C)cc12.[Br-].[CH3-].[Mg+2]
InChIInChI=1S/C24H26N6O2.C23H26ClN5O2.C14H20ClN3O2.C13H18ClN3O2.C10H10N2O.C7H5ClFNO2.C7H16N2.CH3.BrH.Mg/c1-15-9-23(31)28-21-7-6-16(10-19(15)21)27-24(32)20-11-17(12-25)26-13-22(20)30-8-4-5-18(30)14-29(2)3;1-14-9-22(30)27-19-7-6-15(10-17(14)19)26-23(31)18-11-21(24)25-12-20(18)29-8-4-5-16(29)13-28(2)3;1-17(2)9-10-5-4-6-18(10)12-8-16-13(15)7-11(12)14(19)20-3;1-16(2)8-9-4-3-5-17(9)11-7-15-12(14)6-10(11)13(18)19;1-6-4-10(13)12-9-3-2-7(11)5-8(6)9;1-12-7(11)4-2-6(8)10-3-5(4)9;1-9(2)6-7-4-3-5-8-7;;;/h6-7,9-11,13,18H,4-5,8,14H2,1-3H3,(H,27,32)(H,28,31);6-7,9-12,16H,4-5,8,13H2,1-3H3,(H,26,31)(H,27,30);7-8,10H,4-6,9H2,1-3H3;6-7,9H,3-5,8H2,1-2H3,(H,18,19);2-5H,11H2,1H3,(H,12,13);2-3H,1H3;7-8H,3-6H2,1-2H3;1H3;1H;/q;;;;;;;-1;;+2/p-1
InChIKeyZPNDRMWBLMBYBR-UHFFFAOYSA-M
XLogP11.02
TPSA402.13 Ų
H-Bond Donors8
H-Bond Acceptors27
Rotatable Bonds21
Heavy Atoms139
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002063.24
LogP ≤ 511.02
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze magnesium;6-amino-4-methyl-1H-quinolin-2-one;carbanide;2-chloro-5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-4-carboxamide;2-chloro-5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]pyridine-4-carboxylic acid;2-cyano-5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-4-carboxamide;N,N-dimethyl-1-pyrrolidin-2-ylmethanamine;methyl 2-chloro-5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]pyridine-4-carboxylate;methyl 2-chloro-5-fluoropyridine-4-carboxylate;bromide with MolForge

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Frequently Asked Questions

What is the IUPAC name of magnesium;6-amino-4-methyl-1H-quinolin-2-one;carbanide;2-chloro-5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-4-carboxamide;2-chloro-5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]pyridine-4-carboxylic acid;2-cyano-5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-4-carboxamide;N,N-dimethyl-1-pyrrolidin-2-ylmethanamine;methyl 2-chloro-5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]pyridine-4-carboxylate;methyl 2-chloro-5-fluoropyridine-4-carboxylate;bromide?
The IUPAC name of magnesium;6-amino-4-methyl-1H-quinolin-2-one;carbanide;2-chloro-5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-4-carboxamide;2-chloro-5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]pyridine-4-carboxylic acid;2-cyano-5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-4-carboxamide;N,N-dimethyl-1-pyrrolidin-2-ylmethanamine;methyl 2-chloro-5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]pyridine-4-carboxylate;methyl 2-chloro-5-fluoropyridine-4-carboxylate;bromide (CID 158016232) is magnesium;6-amino-4-methyl-1H-quinolin-2-one;carbanide;2-chloro-5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-4-carboxamide;2-chloro-5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]pyridine-4-carboxylic acid;2-cyano-5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-4-carboxamide;N,N-dimethyl-1-pyrrolidin-2-ylmethanamine;methyl 2-chloro-5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]pyridine-4-carboxylate;methyl 2-chloro-5-fluoropyridine-4-carboxylate;bromide.
What is the SMILES notation for magnesium;6-amino-4-methyl-1H-quinolin-2-one;carbanide;2-chloro-5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-4-carboxamide;2-chloro-5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]pyridine-4-carboxylic acid;2-cyano-5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-4-carboxamide;N,N-dimethyl-1-pyrrolidin-2-ylmethanamine;methyl 2-chloro-5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]pyridine-4-carboxylate;methyl 2-chloro-5-fluoropyridine-4-carboxylate;bromide?
The canonical SMILES for magnesium;6-amino-4-methyl-1H-quinolin-2-one;carbanide;2-chloro-5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-4-carboxamide;2-chloro-5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]pyridine-4-carboxylic acid;2-cyano-5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-4-carboxamide;N,N-dimethyl-1-pyrrolidin-2-ylmethanamine;methyl 2-chloro-5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]pyridine-4-carboxylate;methyl 2-chloro-5-fluoropyridine-4-carboxylate;bromide is CN(C)CC1CCCN1.CN(C)CC1CCCN1c1cnc(Cl)cc1C(=O)O.COC(=O)c1cc(Cl)ncc1F.COC(=O)c1cc(Cl)ncc1N1CCCC1CN(C)C.Cc1cc(=O)[nH]c2ccc(N)cc12.Cc1cc(=O)[nH]c2ccc(NC(=O)c3cc(C#N)ncc3N3CCCC3CN(C)C)cc12.Cc1cc(=O)[nH]c2ccc(NC(=O)c3cc(Cl)ncc3N3CCCC3CN(C)C)cc12.[Br-].[CH3-].[Mg+2].
What is the InChIKey of magnesium;6-amino-4-methyl-1H-quinolin-2-one;carbanide;2-chloro-5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-4-carboxamide;2-chloro-5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]pyridine-4-carboxylic acid;2-cyano-5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-4-carboxamide;N,N-dimethyl-1-pyrrolidin-2-ylmethanamine;methyl 2-chloro-5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]pyridine-4-carboxylate;methyl 2-chloro-5-fluoropyridine-4-carboxylate;bromide?
The InChIKey is ZPNDRMWBLMBYBR-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H26N6O2.C23H26ClN5O2.C14H20ClN3O2.C13H18ClN3O2.C10H10N2O.C7H5ClFNO2.C7H16N2.CH3.BrH.Mg/c1-15-9-23(31)28-21-7-6-16(10-19(15)21)27-24(32)20-11-17(12-25)26-13-22(20)30-8-4-5-18(30)14-29(2)3;1-14-9-22(30)27-19-7-6-15(10-17(14)19)26-23(31)18-11-21(24)25-12-20(18)29-8-4-5-16(29)13-28(2)3;1-17(2)9-10-5-4-6-18(10)12-8-16-13(15)7-11(12)14(19)20-3;1-16(2)8-9-4-3-5-17(9)11-7-15-12(14)6-10(11)13(18)19;1-6-4-10(13)12-9-3-2-7(11)5-8(6)9;1-12-7(11)4-2-6(8)10-3-5(4)9;1-9(2)6-7-4-3-5-8-7;;;/h6-7,9-11,13,18H,4-5,8,14H2,1-3H3,(H,27,32)(H,28,31);6-7,9-12,16H,4-5,8,13H2,1-3H3,(H,26,31)(H,27,30);7-8,10H,4-6,9H2,1-3H3;6-7,9H,3-5,8H2,1-2H3,(H,18,19);2-5H,11H2,1H3,(H,12,13);2-3H,1H3;7-8H,3-6H2,1-2H3;1H3;1H;/q;;;;;;;-1;;+2/p-1.
What are the key properties of magnesium;6-amino-4-methyl-1H-quinolin-2-one;carbanide;2-chloro-5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-4-carboxamide;2-chloro-5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]pyridine-4-carboxylic acid;2-cyano-5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-4-carboxamide;N,N-dimethyl-1-pyrrolidin-2-ylmethanamine;methyl 2-chloro-5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]pyridine-4-carboxylate;methyl 2-chloro-5-fluoropyridine-4-carboxylate;bromide?
magnesium;6-amino-4-methyl-1H-quinolin-2-one;carbanide;2-chloro-5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-4-carboxamide;2-chloro-5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]pyridine-4-carboxylic acid;2-cyano-5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-4-carboxamide;N,N-dimethyl-1-pyrrolidin-2-ylmethanamine;methyl 2-chloro-5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]pyridine-4-carboxylate;methyl 2-chloro-5-fluoropyridine-4-carboxylate;bromide has a molecular weight of 2063.24 g/mol, XLogP of 11.02, 21 rotatable bonds, 8 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;6-amino-4-methyl-1H-quinolin-2-one;carbanide;2-chloro-5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-4-carboxamide;2-chloro-5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]pyridine-4-carboxylic acid;2-cyano-5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-4-carboxamide;N,N-dimethyl-1-pyrrolidin-2-ylmethanamine;methyl 2-chloro-5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]pyridine-4-carboxylate;methyl 2-chloro-5-fluoropyridine-4-carboxylate;bromide is sourced from PubChem (CID 158016232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).