6-(bromomethyl)-2-methoxy-5-methyl-4H-quinolin-3-one;6-fluoro-5-[4-[(2-methoxy-5-methyl-3-oxo-4H-quinolin-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide;6-fluoro-N-methyl-5-piperazin-1-ylpyridine-2-carboxamide

C46H53BrF2N10O6 — CID 163606107

About 6-(bromomethyl)-2-methoxy-5-methyl-4H-quinolin-3-one;6-fluoro-5-[4-[(2-methoxy-5-methyl-3-oxo-4H-quinolin-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide;6-fluoro-N-methyl-5-piperazin-1-ylpyridine-2-carboxamide

6-(bromomethyl)-2-methoxy-5-methyl-4H-quinolin-3-one;6-fluoro-5-[4-[(2-methoxy-5-methyl-3-oxo-4H-quinolin-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide;6-fluoro-N-methyl-5-piperazin-1-ylpyridine-2-carboxamide (PubChem CID 163606107) has the molecular formula C46H53BrF2N10O6 and a molecular weight of 959.89 g/mol. Its IUPAC name is 6-(bromomethyl)-2-methoxy-5-methyl-4H-quinolin-3-one;6-fluoro-5-[4-[(2-methoxy-5-methyl-3-oxo-4H-quinolin-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide;6-fluoro-N-methyl-5-piperazin-1-ylpyridine-2-carboxamide.

Molecular Properties

• Compound Name: 6-(bromomethyl)-2-methoxy-5-methyl-4H-quinolin-3-one;6-fluoro-5-[4-[(2-methoxy-5-methyl-3-oxo-4H-quinolin-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide;6-fluoro-N-methyl-5-piperazin-1-ylpyridine-2-carboxamide
• PubChem CID: 163606107
• Molecular Formula: C46H53BrF2N10O6
• Molecular Weight: 959.89 g/mol
• Exact Mass: 958.33
• IUPAC Name: 6-(bromomethyl)-2-methoxy-5-methyl-4H-quinolin-3-one;6-fluoro-5-[4-[(2-methoxy-5-methyl-3-oxo-4H-quinolin-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide;6-fluoro-N-methyl-5-piperazin-1-ylpyridine-2-carboxamide
• SMILES: CNC(=O)c1ccc(N2CCN(Cc3ccc4c(c3C)CC(=O)C(OC)=N4)CC2)c(F)n1.CNC(=O)c1ccc(N2CCNCC2)c(F)n1.COC1=Nc2ccc(CBr)c(C)c2CC1=O
• InChI: InChI=1S/C23H26FN5O3.C12H12BrNO2.C11H15FN4O/c1-14-15(4-5-17-16(14)12-20(30)23(27-17)32-3)13-28-8-10-29(11-9-28)19-7-6-18(22(31)25-2)26-21(19)24;1-7-8(6-13)3-4-10-9(7)5-11(15)12(14-10)16-2;1-13-11(17)8-2-3-9(10(12)15-8)16-6-4-14-5-7-16/h4-7H,8-13H2,1-3H3,(H,25,31);3-4H,5-6H2,1-2H3;2-3,14H,4-7H2,1H3,(H,13,17)
• InChIKey: HBXYGMCTPZBTND-UHFFFAOYSA-N
• XLogP: 4.69
• TPSA: 183.05 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 14
• Rotatable Bonds: 7
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	959.89
LogP ≤ 5	4.69
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-(bromomethyl)-2-methoxy-5-methyl-4H-quinolin-3-one;6-fluoro-5-[4-[(2-methoxy-5-methyl-3-oxo-4H-quinolin-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide;6-fluoro-N-methyl-5-piperazin-1-ylpyridine-2-carboxamide?

The IUPAC name of 6-(bromomethyl)-2-methoxy-5-methyl-4H-quinolin-3-one;6-fluoro-5-[4-[(2-methoxy-5-methyl-3-oxo-4H-quinolin-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide;6-fluoro-N-methyl-5-piperazin-1-ylpyridine-2-carboxamide (CID 163606107) is 6-(bromomethyl)-2-methoxy-5-methyl-4H-quinolin-3-one;6-fluoro-5-[4-[(2-methoxy-5-methyl-3-oxo-4H-quinolin-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide;6-fluoro-N-methyl-5-piperazin-1-ylpyridine-2-carboxamide.

What is the SMILES notation for 6-(bromomethyl)-2-methoxy-5-methyl-4H-quinolin-3-one;6-fluoro-5-[4-[(2-methoxy-5-methyl-3-oxo-4H-quinolin-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide;6-fluoro-N-methyl-5-piperazin-1-ylpyridine-2-carboxamide?

The canonical SMILES for 6-(bromomethyl)-2-methoxy-5-methyl-4H-quinolin-3-one;6-fluoro-5-[4-[(2-methoxy-5-methyl-3-oxo-4H-quinolin-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide;6-fluoro-N-methyl-5-piperazin-1-ylpyridine-2-carboxamide is CNC(=O)c1ccc(N2CCN(Cc3ccc4c(c3C)CC(=O)C(OC)=N4)CC2)c(F)n1.CNC(=O)c1ccc(N2CCNCC2)c(F)n1.COC1=Nc2ccc(CBr)c(C)c2CC1=O.

What is the InChIKey of 6-(bromomethyl)-2-methoxy-5-methyl-4H-quinolin-3-one;6-fluoro-5-[4-[(2-methoxy-5-methyl-3-oxo-4H-quinolin-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide;6-fluoro-N-methyl-5-piperazin-1-ylpyridine-2-carboxamide?

The InChIKey is HBXYGMCTPZBTND-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN5O3.C12H12BrNO2.C11H15FN4O/c1-14-15(4-5-17-16(14)12-20(30)23(27-17)32-3)13-28-8-10-29(11-9-28)19-7-6-18(22(31)25-2)26-21(19)24;1-7-8(6-13)3-4-10-9(7)5-11(15)12(14-10)16-2;1-13-11(17)8-2-3-9(10(12)15-8)16-6-4-14-5-7-16/h4-7H,8-13H2,1-3H3,(H,25,31);3-4H,5-6H2,1-2H3;2-3,14H,4-7H2,1H3,(H,13,17).

What are the key properties of 6-(bromomethyl)-2-methoxy-5-methyl-4H-quinolin-3-one;6-fluoro-5-[4-[(2-methoxy-5-methyl-3-oxo-4H-quinolin-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide;6-fluoro-N-methyl-5-piperazin-1-ylpyridine-2-carboxamide?

6-(bromomethyl)-2-methoxy-5-methyl-4H-quinolin-3-one;6-fluoro-5-[4-[(2-methoxy-5-methyl-3-oxo-4H-quinolin-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide;6-fluoro-N-methyl-5-piperazin-1-ylpyridine-2-carboxamide has a molecular weight of 959.89 g/mol, XLogP of 4.69, 7 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(bromomethyl)-2-methoxy-5-methyl-4H-quinolin-3-one;6-fluoro-5-[4-[(2-methoxy-5-methyl-3-oxo-4H-quinolin-6-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide;6-fluoro-N-methyl-5-piperazin-1-ylpyridine-2-carboxamide is sourced from PubChem (CID 163606107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).