6-amino-4-methyl-1H-quinolin-2-one;bis(2-bromo-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-3-carboxamide);2-bromopyridine-3-carboxylic acid;N-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-pyrrolidin-1-ylpyridine-3-carboxamide;pyrrolidine

C72H67Br3N14O9 — CID 159285046

About 6-amino-4-methyl-1H-quinolin-2-one;bis(2-bromo-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-3-carboxamide);2-bromopyridine-3-carboxylic acid;N-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-pyrrolidin-1-ylpyridine-3-carboxamide;pyrrolidine

6-amino-4-methyl-1H-quinolin-2-one;bis(2-bromo-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-3-carboxamide);2-bromopyridine-3-carboxylic acid;N-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-pyrrolidin-1-ylpyridine-3-carboxamide;pyrrolidine (PubChem CID 159285046) has the molecular formula C72H67Br3N14O9 and a molecular weight of 1512.13 g/mol. Its IUPAC name is 6-amino-4-methyl-1H-quinolin-2-one;bis(2-bromo-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-3-carboxamide);2-bromopyridine-3-carboxylic acid;N-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-pyrrolidin-1-ylpyridine-3-carboxamide;pyrrolidine.

Molecular Properties

• Compound Name: 6-amino-4-methyl-1H-quinolin-2-one;bis(2-bromo-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-3-carboxamide);2-bromopyridine-3-carboxylic acid;N-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-pyrrolidin-1-ylpyridine-3-carboxamide;pyrrolidine
• PubChem CID: 159285046
• Molecular Formula: C72H67Br3N14O9
• Molecular Weight: 1512.13 g/mol
• Exact Mass: 1508.28
• IUPAC Name: 6-amino-4-methyl-1H-quinolin-2-one;bis(2-bromo-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-3-carboxamide);2-bromopyridine-3-carboxylic acid;N-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-pyrrolidin-1-ylpyridine-3-carboxamide;pyrrolidine
• SMILES: C1CCNC1.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)c3cccnc3N3CCCC3)cc12.O=C(O)c1cccnc1Br
• InChI: InChI=1S/C20H20N4O2.2C16H12BrN3O2.C10H10N2O.C6H4BrNO2.C4H9N/c1-13-11-18(25)23-17-7-6-14(12-16(13)17)22-20(26)15-5-4-8-21-19(15)24-9-2-3-10-24;2*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;1-2-4-5-3-1/h4-8,11-12H,2-3,9-10H2,1H3,(H,22,26)(H,23,25);2*2-8H,1H3,(H,19,22)(H,20,21);2-5H,11H2,1H3,(H,12,13);1-3H,(H,9,10);5H,1-4H2
• InChIKey: KZKDYJGBLVFOOV-UHFFFAOYSA-N
• XLogP: 12.91
• TPSA: 348.89 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 15
• Rotatable Bonds: 8
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1512.13
LogP ≤ 5	12.91
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	15

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;bis(2-bromo-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-3-carboxamide);2-bromopyridine-3-carboxylic acid;N-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-pyrrolidin-1-ylpyridine-3-carboxamide;pyrrolidine?

The IUPAC name of 6-amino-4-methyl-1H-quinolin-2-one;bis(2-bromo-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-3-carboxamide);2-bromopyridine-3-carboxylic acid;N-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-pyrrolidin-1-ylpyridine-3-carboxamide;pyrrolidine (CID 159285046) is 6-amino-4-methyl-1H-quinolin-2-one;bis(2-bromo-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-3-carboxamide);2-bromopyridine-3-carboxylic acid;N-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-pyrrolidin-1-ylpyridine-3-carboxamide;pyrrolidine.

What is the SMILES notation for 6-amino-4-methyl-1H-quinolin-2-one;bis(2-bromo-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-3-carboxamide);2-bromopyridine-3-carboxylic acid;N-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-pyrrolidin-1-ylpyridine-3-carboxamide;pyrrolidine?

The canonical SMILES for 6-amino-4-methyl-1H-quinolin-2-one;bis(2-bromo-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-3-carboxamide);2-bromopyridine-3-carboxylic acid;N-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-pyrrolidin-1-ylpyridine-3-carboxamide;pyrrolidine is C1CCNC1.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)c3cccnc3N3CCCC3)cc12.O=C(O)c1cccnc1Br.

What is the InChIKey of 6-amino-4-methyl-1H-quinolin-2-one;bis(2-bromo-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-3-carboxamide);2-bromopyridine-3-carboxylic acid;N-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-pyrrolidin-1-ylpyridine-3-carboxamide;pyrrolidine?

The InChIKey is KZKDYJGBLVFOOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2.2C16H12BrN3O2.C10H10N2O.C6H4BrNO2.C4H9N/c1-13-11-18(25)23-17-7-6-14(12-16(13)17)22-20(26)15-5-4-8-21-19(15)24-9-2-3-10-24;2*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;1-2-4-5-3-1/h4-8,11-12H,2-3,9-10H2,1H3,(H,22,26)(H,23,25);2*2-8H,1H3,(H,19,22)(H,20,21);2-5H,11H2,1H3,(H,12,13);1-3H,(H,9,10);5H,1-4H2.

What are the key properties of 6-amino-4-methyl-1H-quinolin-2-one;bis(2-bromo-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-3-carboxamide);2-bromopyridine-3-carboxylic acid;N-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-pyrrolidin-1-ylpyridine-3-carboxamide;pyrrolidine?

6-amino-4-methyl-1H-quinolin-2-one;bis(2-bromo-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-3-carboxamide);2-bromopyridine-3-carboxylic acid;N-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-pyrrolidin-1-ylpyridine-3-carboxamide;pyrrolidine has a molecular weight of 1512.13 g/mol, XLogP of 12.91, 8 rotatable bonds, 10 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 6-amino-4-methyl-1H-quinolin-2-one;bis(2-bromo-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-3-carboxamide);2-bromopyridine-3-carboxylic acid;N-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-pyrrolidin-1-ylpyridine-3-carboxamide;pyrrolidine is sourced from PubChem (CID 159285046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).