7-(bromomethyl)-3-(1,1-difluoroethyl)-8-fluoro-1H-quinoxalin-2-one;5-[4-[[2-(1,1-difluoroethyl)-5-fluoro-3-oxo-4H-quinolin-6-yl]methyl]piperazin-1-yl]-N,6-dimethylpyridine-2-carboxamide;N,6-dimethyl-5-piperazin-1-ylpyridine-2-carboxamide

C47H52BrF6N11O4 — CID 163978494

About 7-(bromomethyl)-3-(1,1-difluoroethyl)-8-fluoro-1H-quinoxalin-2-one;5-[4-[[2-(1,1-difluoroethyl)-5-fluoro-3-oxo-4H-quinolin-6-yl]methyl]piperazin-1-yl]-N,6-dimethylpyridine-2-carboxamide;N,6-dimethyl-5-piperazin-1-ylpyridine-2-carboxamide

7-(bromomethyl)-3-(1,1-difluoroethyl)-8-fluoro-1H-quinoxalin-2-one;5-[4-[[2-(1,1-difluoroethyl)-5-fluoro-3-oxo-4H-quinolin-6-yl]methyl]piperazin-1-yl]-N,6-dimethylpyridine-2-carboxamide;N,6-dimethyl-5-piperazin-1-ylpyridine-2-carboxamide (PubChem CID 163978494) has the molecular formula C47H52BrF6N11O4 and a molecular weight of 1028.90 g/mol. Its IUPAC name is 7-(bromomethyl)-3-(1,1-difluoroethyl)-8-fluoro-1H-quinoxalin-2-one;5-[4-[[2-(1,1-difluoroethyl)-5-fluoro-3-oxo-4H-quinolin-6-yl]methyl]piperazin-1-yl]-N,6-dimethylpyridine-2-carboxamide;N,6-dimethyl-5-piperazin-1-ylpyridine-2-carboxamide.

Molecular Properties

• Compound Name: 7-(bromomethyl)-3-(1,1-difluoroethyl)-8-fluoro-1H-quinoxalin-2-one;5-[4-[[2-(1,1-difluoroethyl)-5-fluoro-3-oxo-4H-quinolin-6-yl]methyl]piperazin-1-yl]-N,6-dimethylpyridine-2-carboxamide;N,6-dimethyl-5-piperazin-1-ylpyridine-2-carboxamide
• PubChem CID: 163978494
• Molecular Formula: C47H52BrF6N11O4
• Molecular Weight: 1028.90 g/mol
• Exact Mass: 1027.33
• IUPAC Name: 7-(bromomethyl)-3-(1,1-difluoroethyl)-8-fluoro-1H-quinoxalin-2-one;5-[4-[[2-(1,1-difluoroethyl)-5-fluoro-3-oxo-4H-quinolin-6-yl]methyl]piperazin-1-yl]-N,6-dimethylpyridine-2-carboxamide;N,6-dimethyl-5-piperazin-1-ylpyridine-2-carboxamide
• SMILES: CC(F)(F)c1nc2ccc(CBr)c(F)c2[nH]c1=O.CNC(=O)c1ccc(N2CCN(Cc3ccc4c(c3F)CC(=O)C(C(C)(F)F)=N4)CC2)c(C)n1.CNC(=O)c1ccc(N2CCNCC2)c(C)n1
• InChI: InChI=1S/C24H26F3N5O2.C12H18N4O.C11H8BrF3N2O/c1-14-19(7-6-18(29-14)23(34)28-3)32-10-8-31(9-11-32)13-15-4-5-17-16(21(15)25)12-20(33)22(30-17)24(2,26)27;1-9-11(16-7-5-14-6-8-16)4-3-10(15-9)12(17)13-2;1-11(14,15)9-10(18)17-8-6(16-9)3-2-5(4-12)7(8)13/h4-7H,8-13H2,1-3H3,(H,28,34);3-4,14H,5-8H2,1-2H3,(H,13,17);2-3H,4H2,1H3,(H,17,18)
• InChIKey: SWGYGIYHCJEFBU-UHFFFAOYSA-N
• XLogP: 6.29
• TPSA: 180.91 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 9
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1028.90
LogP ≤ 5	6.29
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-(bromomethyl)-3-(1,1-difluoroethyl)-8-fluoro-1H-quinoxalin-2-one;5-[4-[[2-(1,1-difluoroethyl)-5-fluoro-3-oxo-4H-quinolin-6-yl]methyl]piperazin-1-yl]-N,6-dimethylpyridine-2-carboxamide;N,6-dimethyl-5-piperazin-1-ylpyridine-2-carboxamide?

The IUPAC name of 7-(bromomethyl)-3-(1,1-difluoroethyl)-8-fluoro-1H-quinoxalin-2-one;5-[4-[[2-(1,1-difluoroethyl)-5-fluoro-3-oxo-4H-quinolin-6-yl]methyl]piperazin-1-yl]-N,6-dimethylpyridine-2-carboxamide;N,6-dimethyl-5-piperazin-1-ylpyridine-2-carboxamide (CID 163978494) is 7-(bromomethyl)-3-(1,1-difluoroethyl)-8-fluoro-1H-quinoxalin-2-one;5-[4-[[2-(1,1-difluoroethyl)-5-fluoro-3-oxo-4H-quinolin-6-yl]methyl]piperazin-1-yl]-N,6-dimethylpyridine-2-carboxamide;N,6-dimethyl-5-piperazin-1-ylpyridine-2-carboxamide.

What is the SMILES notation for 7-(bromomethyl)-3-(1,1-difluoroethyl)-8-fluoro-1H-quinoxalin-2-one;5-[4-[[2-(1,1-difluoroethyl)-5-fluoro-3-oxo-4H-quinolin-6-yl]methyl]piperazin-1-yl]-N,6-dimethylpyridine-2-carboxamide;N,6-dimethyl-5-piperazin-1-ylpyridine-2-carboxamide?

The canonical SMILES for 7-(bromomethyl)-3-(1,1-difluoroethyl)-8-fluoro-1H-quinoxalin-2-one;5-[4-[[2-(1,1-difluoroethyl)-5-fluoro-3-oxo-4H-quinolin-6-yl]methyl]piperazin-1-yl]-N,6-dimethylpyridine-2-carboxamide;N,6-dimethyl-5-piperazin-1-ylpyridine-2-carboxamide is CC(F)(F)c1nc2ccc(CBr)c(F)c2[nH]c1=O.CNC(=O)c1ccc(N2CCN(Cc3ccc4c(c3F)CC(=O)C(C(C)(F)F)=N4)CC2)c(C)n1.CNC(=O)c1ccc(N2CCNCC2)c(C)n1.

What is the InChIKey of 7-(bromomethyl)-3-(1,1-difluoroethyl)-8-fluoro-1H-quinoxalin-2-one;5-[4-[[2-(1,1-difluoroethyl)-5-fluoro-3-oxo-4H-quinolin-6-yl]methyl]piperazin-1-yl]-N,6-dimethylpyridine-2-carboxamide;N,6-dimethyl-5-piperazin-1-ylpyridine-2-carboxamide?

The InChIKey is SWGYGIYHCJEFBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F3N5O2.C12H18N4O.C11H8BrF3N2O/c1-14-19(7-6-18(29-14)23(34)28-3)32-10-8-31(9-11-32)13-15-4-5-17-16(21(15)25)12-20(33)22(30-17)24(2,26)27;1-9-11(16-7-5-14-6-8-16)4-3-10(15-9)12(17)13-2;1-11(14,15)9-10(18)17-8-6(16-9)3-2-5(4-12)7(8)13/h4-7H,8-13H2,1-3H3,(H,28,34);3-4,14H,5-8H2,1-2H3,(H,13,17);2-3H,4H2,1H3,(H,17,18).

What are the key properties of 7-(bromomethyl)-3-(1,1-difluoroethyl)-8-fluoro-1H-quinoxalin-2-one;5-[4-[[2-(1,1-difluoroethyl)-5-fluoro-3-oxo-4H-quinolin-6-yl]methyl]piperazin-1-yl]-N,6-dimethylpyridine-2-carboxamide;N,6-dimethyl-5-piperazin-1-ylpyridine-2-carboxamide?

7-(bromomethyl)-3-(1,1-difluoroethyl)-8-fluoro-1H-quinoxalin-2-one;5-[4-[[2-(1,1-difluoroethyl)-5-fluoro-3-oxo-4H-quinolin-6-yl]methyl]piperazin-1-yl]-N,6-dimethylpyridine-2-carboxamide;N,6-dimethyl-5-piperazin-1-ylpyridine-2-carboxamide has a molecular weight of 1028.90 g/mol, XLogP of 6.29, 9 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(bromomethyl)-3-(1,1-difluoroethyl)-8-fluoro-1H-quinoxalin-2-one;5-[4-[[2-(1,1-difluoroethyl)-5-fluoro-3-oxo-4H-quinolin-6-yl]methyl]piperazin-1-yl]-N,6-dimethylpyridine-2-carboxamide;N,6-dimethyl-5-piperazin-1-ylpyridine-2-carboxamide is sourced from PubChem (CID 163978494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).