6-amino-4-methyl-1H-quinolin-2-one;tris(2-bromo-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-3-carboxamide);2-bromopyridine-3-carboxylic acid;3,3-difluoropyrrolidine;2-(3,3-difluoropyrrolidin-1-yl)-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-3-carboxamide;3-fluoropyrrolidine;2-(3-fluoropyrrolidin-1-yl)-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-3-carboxamide;dihydrochloride

C112H104Br4Cl2F6N22O13 — CID 158646428

About 6-amino-4-methyl-1H-quinolin-2-one;tris(2-bromo-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-3-carboxamide);2-bromopyridine-3-carboxylic acid;3,3-difluoropyrrolidine;2-(3,3-difluoropyrrolidin-1-yl)-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-3-carboxamide;3-fluoropyrrolidine;2-(3-fluoropyrrolidin-1-yl)-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-3-carboxamide;dihydrochloride

6-amino-4-methyl-1H-quinolin-2-one;tris(2-bromo-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-3-carboxamide);2-bromopyridine-3-carboxylic acid;3,3-difluoropyrrolidine;2-(3,3-difluoropyrrolidin-1-yl)-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-3-carboxamide;3-fluoropyrrolidine;2-(3-fluoropyrrolidin-1-yl)-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-3-carboxamide;dihydrochloride (PubChem CID 158646428) has the molecular formula C112H104Br4Cl2F6N22O13 and a molecular weight of 2470.71 g/mol. Its IUPAC name is 6-amino-4-methyl-1H-quinolin-2-one;tris(2-bromo-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-3-carboxamide);2-bromopyridine-3-carboxylic acid;3,3-difluoropyrrolidine;2-(3,3-difluoropyrrolidin-1-yl)-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-3-carboxamide;3-fluoropyrrolidine;2-(3-fluoropyrrolidin-1-yl)-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-3-carboxamide;dihydrochloride.

Molecular Properties

• Compound Name: 6-amino-4-methyl-1H-quinolin-2-one;tris(2-bromo-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-3-carboxamide);2-bromopyridine-3-carboxylic acid;3,3-difluoropyrrolidine;2-(3,3-difluoropyrrolidin-1-yl)-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-3-carboxamide;3-fluoropyrrolidine;2-(3-fluoropyrrolidin-1-yl)-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-3-carboxamide;dihydrochloride
• PubChem CID: 158646428
• Molecular Formula: C112H104Br4Cl2F6N22O13
• Molecular Weight: 2470.71 g/mol
• Exact Mass: 2464.42
• IUPAC Name: 6-amino-4-methyl-1H-quinolin-2-one;tris(2-bromo-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-3-carboxamide);2-bromopyridine-3-carboxylic acid;3,3-difluoropyrrolidine;2-(3,3-difluoropyrrolidin-1-yl)-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-3-carboxamide;3-fluoropyrrolidine;2-(3-fluoropyrrolidin-1-yl)-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-3-carboxamide;dihydrochloride
• SMILES: Cc1cc(=O)[nH]c2ccc(N)cc12.Cc1cc(=O)[nH]c2ccc(NC(=O)c3cccnc3Br)cc12.Cc1cc(=O)[nH]c2ccc(NC(=O)c3cccnc3Br)cc12.Cc1cc(=O)[nH]c2ccc(NC(=O)c3cccnc3Br)cc12.Cc1cc(=O)[nH]c2ccc(NC(=O)c3cccnc3N3CCC(F)(F)C3)cc12.Cc1cc(=O)[nH]c2ccc(NC(=O)c3cccnc3N3CCC(F)C3)cc12.Cl.Cl.FC1(F)CCNC1.FC1CCNC1.O=C(O)c1cccnc1Br
• InChI: InChI=1S/C20H18F2N4O2.C20H19FN4O2.3C16H12BrN3O2.C10H10N2O.C6H4BrNO2.C4H7F2N.C4H8FN.2ClH/c1-12-9-17(27)25-16-5-4-13(10-15(12)16)24-19(28)14-3-2-7-23-18(14)26-8-6-20(21,22)11-26;1-12-9-18(26)24-17-5-4-14(10-16(12)17)23-20(27)15-3-2-7-22-19(15)25-8-6-13(21)11-25;3*1-9-7-14(21)20-13-5-4-10(8-12(9)13)19-16(22)11-3-2-6-18-15(11)17;1-6-4-10(13)12-9-3-2-7(11)5-8(6)9;7-5-4(6(9)10)2-1-3-8-5;5-4(6)1-2-7-3-4;5-4-1-2-6-3-4;;/h2-5,7,9-10H,6,8,11H2,1H3,(H,24,28)(H,25,27);2-5,7,9-10,13H,6,8,11H2,1H3,(H,23,27)(H,24,26);3*2-8H,1H3,(H,19,22)(H,20,21);2-5H,11H2,1H3,(H,12,13);1-3H,(H,9,10);7H,1-3H2;4,6H,1-3H2;2*1H
• InChIKey: FPLAHZJYDGXGIV-UHFFFAOYSA-N
• XLogP: 20.84
• TPSA: 513.86 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 23
• Rotatable Bonds: 13
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2470.71
LogP ≤ 5	20.84
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-amino-4-methyl-1H-quinolin-2-one;tris(2-bromo-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-3-carboxamide);2-bromopyridine-3-carboxylic acid;3,3-difluoropyrrolidine;2-(3,3-difluoropyrrolidin-1-yl)-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-3-carboxamide;3-fluoropyrrolidine;2-(3-fluoropyrrolidin-1-yl)-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-3-carboxamide;dihydrochloride?

The IUPAC name of 6-amino-4-methyl-1H-quinolin-2-one;tris(2-bromo-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-3-carboxamide);2-bromopyridine-3-carboxylic acid;3,3-difluoropyrrolidine;2-(3,3-difluoropyrrolidin-1-yl)-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-3-carboxamide;3-fluoropyrrolidine;2-(3-fluoropyrrolidin-1-yl)-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-3-carboxamide;dihydrochloride (CID 158646428) is 6-amino-4-methyl-1H-quinolin-2-one;tris(2-bromo-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-3-carboxamide);2-bromopyridine-3-carboxylic acid;3,3-difluoropyrrolidine;2-(3,3-difluoropyrrolidin-1-yl)-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-3-carboxamide;3-fluoropyrrolidine;2-(3-fluoropyrrolidin-1-yl)-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-3-carboxamide;dihydrochloride.

What is the SMILES notation for 6-amino-4-methyl-1H-quinolin-2-one;tris(2-bromo-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-3-carboxamide);2-bromopyridine-3-carboxylic acid;3,3-difluoropyrrolidine;2-(3,3-difluoropyrrolidin-1-yl)-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-3-carboxamide;3-fluoropyrrolidine;2-(3-fluoropyrrolidin-1-yl)-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-3-carboxamide;dihydrochloride?

The canonical SMILES for 6-amino-4-methyl-1H-quinolin-2-one;tris(2-bromo-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-3-carboxamide);2-bromopyridine-3-carboxylic acid;3,3-difluoropyrrolidine;2-(3,3-difluoropyrrolidin-1-yl)-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-3-carboxamide;3-fluoropyrrolidine;2-(3-fluoropyrrolidin-1-yl)-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-3-carboxamide;dihydrochloride is Cc1cc(=O)[nH]c2ccc(N)cc12.Cc1cc(=O)[nH]c2ccc(NC(=O)c3cccnc3Br)cc12.Cc1cc(=O)[nH]c2ccc(NC(=O)c3cccnc3Br)cc12.Cc1cc(=O)[nH]c2ccc(NC(=O)c3cccnc3Br)cc12.Cc1cc(=O)[nH]c2ccc(NC(=O)c3cccnc3N3CCC(F)(F)C3)cc12.Cc1cc(=O)[nH]c2ccc(NC(=O)c3cccnc3N3CCC(F)C3)cc12.Cl.Cl.FC1(F)CCNC1.FC1CCNC1.O=C(O)c1cccnc1Br.

What is the InChIKey of 6-amino-4-methyl-1H-quinolin-2-one;tris(2-bromo-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-3-carboxamide);2-bromopyridine-3-carboxylic acid;3,3-difluoropyrrolidine;2-(3,3-difluoropyrrolidin-1-yl)-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-3-carboxamide;3-fluoropyrrolidine;2-(3-fluoropyrrolidin-1-yl)-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-3-carboxamide;dihydrochloride?

The InChIKey is FPLAHZJYDGXGIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N4O2.C20H19FN4O2.3C16H12BrN3O2.C10H10N2O.C6H4BrNO2.C4H7F2N.C4H8FN.2ClH/c1-12-9-17(27)25-16-5-4-13(10-15(12)16)24-19(28)14-3-2-7-23-18(14)26-8-6-20(21,22)11-26;1-12-9-18(26)24-17-5-4-14(10-16(12)17)23-20(27)15-3-2-7-22-19(15)25-8-6-13(21)11-25;3*1-9-7-14(21)20-13-5-4-10(8-12(9)13)19-16(22)11-3-2-6-18-15(11)17;1-6-4-10(13)12-9-3-2-7(11)5-8(6)9;7-5-4(6(9)10)2-1-3-8-5;5-4(6)1-2-7-3-4;5-4-1-2-6-3-4;;/h2-5,7,9-10H,6,8,11H2,1H3,(H,24,28)(H,25,27);2-5,7,9-10,13H,6,8,11H2,1H3,(H,23,27)(H,24,26);3*2-8H,1H3,(H,19,22)(H,20,21);2-5H,11H2,1H3,(H,12,13);1-3H,(H,9,10);7H,1-3H2;4,6H,1-3H2;2*1H.

What are the key properties of 6-amino-4-methyl-1H-quinolin-2-one;tris(2-bromo-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-3-carboxamide);2-bromopyridine-3-carboxylic acid;3,3-difluoropyrrolidine;2-(3,3-difluoropyrrolidin-1-yl)-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-3-carboxamide;3-fluoropyrrolidine;2-(3-fluoropyrrolidin-1-yl)-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-3-carboxamide;dihydrochloride?

6-amino-4-methyl-1H-quinolin-2-one;tris(2-bromo-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-3-carboxamide);2-bromopyridine-3-carboxylic acid;3,3-difluoropyrrolidine;2-(3,3-difluoropyrrolidin-1-yl)-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-3-carboxamide;3-fluoropyrrolidine;2-(3-fluoropyrrolidin-1-yl)-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-3-carboxamide;dihydrochloride has a molecular weight of 2470.71 g/mol, XLogP of 20.84, 13 rotatable bonds, 15 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 6-amino-4-methyl-1H-quinolin-2-one;tris(2-bromo-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-3-carboxamide);2-bromopyridine-3-carboxylic acid;3,3-difluoropyrrolidine;2-(3,3-difluoropyrrolidin-1-yl)-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-3-carboxamide;3-fluoropyrrolidine;2-(3-fluoropyrrolidin-1-yl)-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 158646428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).