potassium;5-bromo-2-methylpyrimidine;difluoro(prop-1-en-2-yl)borane;bis(4-(2-fluoro-4-methoxyphenyl)-7-[1-(2-methylpyrimidin-5-yl)propan-2-yl]quinoline-2-carboxamide);methyl 7-chloro-4-(2-fluoro-4-methoxyphenyl)quinoline-2-carboxylate;methyl 4-(2-fluoro-4-methoxyphenyl)-7-[1-(2-methylpyrimidin-5-yl)propan-2-yl]quinoline-2-carboxylate;methyl 4-(2-fluoro-4-methoxyphenyl)-7-prop-1-en-2-ylquinoline-2-carboxylate;fluoride

C123H111BBrClF8KN15O13 — CID 160802505

About potassium;5-bromo-2-methylpyrimidine;difluoro(prop-1-en-2-yl)borane;bis(4-(2-fluoro-4-methoxyphenyl)-7-[1-(2-methylpyrimidin-5-yl)propan-2-yl]quinoline-2-carboxamide);methyl 7-chloro-4-(2-fluoro-4-methoxyphenyl)quinoline-2-carboxylate;methyl 4-(2-fluoro-4-methoxyphenyl)-7-[1-(2-methylpyrimidin-5-yl)propan-2-yl]quinoline-2-carboxylate;methyl 4-(2-fluoro-4-methoxyphenyl)-7-prop-1-en-2-ylquinoline-2-carboxylate;fluoride

potassium;5-bromo-2-methylpyrimidine;difluoro(prop-1-en-2-yl)borane;bis(4-(2-fluoro-4-methoxyphenyl)-7-[1-(2-methylpyrimidin-5-yl)propan-2-yl]quinoline-2-carboxamide);methyl 7-chloro-4-(2-fluoro-4-methoxyphenyl)quinoline-2-carboxylate;methyl 4-(2-fluoro-4-methoxyphenyl)-7-[1-(2-methylpyrimidin-5-yl)propan-2-yl]quinoline-2-carboxylate;methyl 4-(2-fluoro-4-methoxyphenyl)-7-prop-1-en-2-ylquinoline-2-carboxylate;fluoride (PubChem CID 160802505) has the molecular formula C123H111BBrClF8KN15O13 and a molecular weight of 2324.58 g/mol. Its IUPAC name is potassium;5-bromo-2-methylpyrimidine;difluoro(prop-1-en-2-yl)borane;bis(4-(2-fluoro-4-methoxyphenyl)-7-[1-(2-methylpyrimidin-5-yl)propan-2-yl]quinoline-2-carboxamide);methyl 7-chloro-4-(2-fluoro-4-methoxyphenyl)quinoline-2-carboxylate;methyl 4-(2-fluoro-4-methoxyphenyl)-7-[1-(2-methylpyrimidin-5-yl)propan-2-yl]quinoline-2-carboxylate;methyl 4-(2-fluoro-4-methoxyphenyl)-7-prop-1-en-2-ylquinoline-2-carboxylate;fluoride.

Molecular Properties

• Compound Name: potassium;5-bromo-2-methylpyrimidine;difluoro(prop-1-en-2-yl)borane;bis(4-(2-fluoro-4-methoxyphenyl)-7-[1-(2-methylpyrimidin-5-yl)propan-2-yl]quinoline-2-carboxamide);methyl 7-chloro-4-(2-fluoro-4-methoxyphenyl)quinoline-2-carboxylate;methyl 4-(2-fluoro-4-methoxyphenyl)-7-[1-(2-methylpyrimidin-5-yl)propan-2-yl]quinoline-2-carboxylate;methyl 4-(2-fluoro-4-methoxyphenyl)-7-prop-1-en-2-ylquinoline-2-carboxylate;fluoride
• PubChem CID: 160802505
• Molecular Formula: C123H111BBrClF8KN15O13
• Molecular Weight: 2324.58 g/mol
• Exact Mass: 2321.70
• IUPAC Name: potassium;5-bromo-2-methylpyrimidine;difluoro(prop-1-en-2-yl)borane;bis(4-(2-fluoro-4-methoxyphenyl)-7-[1-(2-methylpyrimidin-5-yl)propan-2-yl]quinoline-2-carboxamide);methyl 7-chloro-4-(2-fluoro-4-methoxyphenyl)quinoline-2-carboxylate;methyl 4-(2-fluoro-4-methoxyphenyl)-7-[1-(2-methylpyrimidin-5-yl)propan-2-yl]quinoline-2-carboxylate;methyl 4-(2-fluoro-4-methoxyphenyl)-7-prop-1-en-2-ylquinoline-2-carboxylate;fluoride
• SMILES: C=C(C)B(F)F.C=C(C)c1ccc2c(-c3ccc(OC)cc3F)cc(C(=O)OC)nc2c1.COC(=O)c1cc(-c2ccc(OC)cc2F)c2ccc(C(C)Cc3cnc(C)nc3)cc2n1.COC(=O)c1cc(-c2ccc(OC)cc2F)c2ccc(Cl)cc2n1.COc1ccc(-c2cc(C(N)=O)nc3cc(C(C)Cc4cnc(C)nc4)ccc23)c(F)c1.COc1ccc(-c2cc(C(N)=O)nc3cc(C(C)Cc4cnc(C)nc4)ccc23)c(F)c1.Cc1ncc(Br)cn1.[F-].[K+]
• InChI: InChI=1S/C26H24FN3O3.2C25H23FN4O2.C21H18FNO3.C18H13ClFNO3.C5H5BrN2.C3H5BF2.FH.K/c1-15(9-17-13-28-16(2)29-14-17)18-5-7-21-22(20-8-6-19(32-3)11-23(20)27)12-25(26(31)33-4)30-24(21)10-18;2*1-14(8-16-12-28-15(2)29-13-16)17-4-6-20-21(11-24(25(27)31)30-23(20)9-17)19-7-5-18(32-3)10-22(19)26;1-12(2)13-5-7-16-17(15-8-6-14(25-3)10-18(15)22)11-20(21(24)26-4)23-19(16)9-13;1-23-11-4-6-12(15(20)8-11)14-9-17(18(22)24-2)21-16-7-10(19)3-5-13(14)16;1-4-7-2-5(6)3-8-4;1-3(2)4(5)6;;/h5-8,10-15H,9H2,1-4H3;2*4-7,9-14H,8H2,1-3H3,(H2,27,31);5-11H,1H2,2-4H3;3-9H,1-2H3;2-3H,1H3;1H2,2H3;1H;/q;;;;;;;;+1/p-1
• InChIKey: DOPOBOULBBZHIV-UHFFFAOYSA-M
• XLogP: 20.91
• TPSA: 378.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 26
• Rotatable Bonds: 26
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2324.58
LogP ≤ 5	20.91
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of potassium;5-bromo-2-methylpyrimidine;difluoro(prop-1-en-2-yl)borane;bis(4-(2-fluoro-4-methoxyphenyl)-7-[1-(2-methylpyrimidin-5-yl)propan-2-yl]quinoline-2-carboxamide);methyl 7-chloro-4-(2-fluoro-4-methoxyphenyl)quinoline-2-carboxylate;methyl 4-(2-fluoro-4-methoxyphenyl)-7-[1-(2-methylpyrimidin-5-yl)propan-2-yl]quinoline-2-carboxylate;methyl 4-(2-fluoro-4-methoxyphenyl)-7-prop-1-en-2-ylquinoline-2-carboxylate;fluoride?

The IUPAC name of potassium;5-bromo-2-methylpyrimidine;difluoro(prop-1-en-2-yl)borane;bis(4-(2-fluoro-4-methoxyphenyl)-7-[1-(2-methylpyrimidin-5-yl)propan-2-yl]quinoline-2-carboxamide);methyl 7-chloro-4-(2-fluoro-4-methoxyphenyl)quinoline-2-carboxylate;methyl 4-(2-fluoro-4-methoxyphenyl)-7-[1-(2-methylpyrimidin-5-yl)propan-2-yl]quinoline-2-carboxylate;methyl 4-(2-fluoro-4-methoxyphenyl)-7-prop-1-en-2-ylquinoline-2-carboxylate;fluoride (CID 160802505) is potassium;5-bromo-2-methylpyrimidine;difluoro(prop-1-en-2-yl)borane;bis(4-(2-fluoro-4-methoxyphenyl)-7-[1-(2-methylpyrimidin-5-yl)propan-2-yl]quinoline-2-carboxamide);methyl 7-chloro-4-(2-fluoro-4-methoxyphenyl)quinoline-2-carboxylate;methyl 4-(2-fluoro-4-methoxyphenyl)-7-[1-(2-methylpyrimidin-5-yl)propan-2-yl]quinoline-2-carboxylate;methyl 4-(2-fluoro-4-methoxyphenyl)-7-prop-1-en-2-ylquinoline-2-carboxylate;fluoride.

What is the SMILES notation for potassium;5-bromo-2-methylpyrimidine;difluoro(prop-1-en-2-yl)borane;bis(4-(2-fluoro-4-methoxyphenyl)-7-[1-(2-methylpyrimidin-5-yl)propan-2-yl]quinoline-2-carboxamide);methyl 7-chloro-4-(2-fluoro-4-methoxyphenyl)quinoline-2-carboxylate;methyl 4-(2-fluoro-4-methoxyphenyl)-7-[1-(2-methylpyrimidin-5-yl)propan-2-yl]quinoline-2-carboxylate;methyl 4-(2-fluoro-4-methoxyphenyl)-7-prop-1-en-2-ylquinoline-2-carboxylate;fluoride?

The canonical SMILES for potassium;5-bromo-2-methylpyrimidine;difluoro(prop-1-en-2-yl)borane;bis(4-(2-fluoro-4-methoxyphenyl)-7-[1-(2-methylpyrimidin-5-yl)propan-2-yl]quinoline-2-carboxamide);methyl 7-chloro-4-(2-fluoro-4-methoxyphenyl)quinoline-2-carboxylate;methyl 4-(2-fluoro-4-methoxyphenyl)-7-[1-(2-methylpyrimidin-5-yl)propan-2-yl]quinoline-2-carboxylate;methyl 4-(2-fluoro-4-methoxyphenyl)-7-prop-1-en-2-ylquinoline-2-carboxylate;fluoride is C=C(C)B(F)F.C=C(C)c1ccc2c(-c3ccc(OC)cc3F)cc(C(=O)OC)nc2c1.COC(=O)c1cc(-c2ccc(OC)cc2F)c2ccc(C(C)Cc3cnc(C)nc3)cc2n1.COC(=O)c1cc(-c2ccc(OC)cc2F)c2ccc(Cl)cc2n1.COc1ccc(-c2cc(C(N)=O)nc3cc(C(C)Cc4cnc(C)nc4)ccc23)c(F)c1.COc1ccc(-c2cc(C(N)=O)nc3cc(C(C)Cc4cnc(C)nc4)ccc23)c(F)c1.Cc1ncc(Br)cn1.[F-].[K+].

What is the InChIKey of potassium;5-bromo-2-methylpyrimidine;difluoro(prop-1-en-2-yl)borane;bis(4-(2-fluoro-4-methoxyphenyl)-7-[1-(2-methylpyrimidin-5-yl)propan-2-yl]quinoline-2-carboxamide);methyl 7-chloro-4-(2-fluoro-4-methoxyphenyl)quinoline-2-carboxylate;methyl 4-(2-fluoro-4-methoxyphenyl)-7-[1-(2-methylpyrimidin-5-yl)propan-2-yl]quinoline-2-carboxylate;methyl 4-(2-fluoro-4-methoxyphenyl)-7-prop-1-en-2-ylquinoline-2-carboxylate;fluoride?

The InChIKey is DOPOBOULBBZHIV-UHFFFAOYSA-M. The full InChI is InChI=1S/C26H24FN3O3.2C25H23FN4O2.C21H18FNO3.C18H13ClFNO3.C5H5BrN2.C3H5BF2.FH.K/c1-15(9-17-13-28-16(2)29-14-17)18-5-7-21-22(20-8-6-19(32-3)11-23(20)27)12-25(26(31)33-4)30-24(21)10-18;2*1-14(8-16-12-28-15(2)29-13-16)17-4-6-20-21(11-24(25(27)31)30-23(20)9-17)19-7-5-18(32-3)10-22(19)26;1-12(2)13-5-7-16-17(15-8-6-14(25-3)10-18(15)22)11-20(21(24)26-4)23-19(16)9-13;1-23-11-4-6-12(15(20)8-11)14-9-17(18(22)24-2)21-16-7-10(19)3-5-13(14)16;1-4-7-2-5(6)3-8-4;1-3(2)4(5)6;;/h5-8,10-15H,9H2,1-4H3;2*4-7,9-14H,8H2,1-3H3,(H2,27,31);5-11H,1H2,2-4H3;3-9H,1-2H3;2-3H,1H3;1H2,2H3;1H;/q;;;;;;;;+1/p-1.

What are the key properties of potassium;5-bromo-2-methylpyrimidine;difluoro(prop-1-en-2-yl)borane;bis(4-(2-fluoro-4-methoxyphenyl)-7-[1-(2-methylpyrimidin-5-yl)propan-2-yl]quinoline-2-carboxamide);methyl 7-chloro-4-(2-fluoro-4-methoxyphenyl)quinoline-2-carboxylate;methyl 4-(2-fluoro-4-methoxyphenyl)-7-[1-(2-methylpyrimidin-5-yl)propan-2-yl]quinoline-2-carboxylate;methyl 4-(2-fluoro-4-methoxyphenyl)-7-prop-1-en-2-ylquinoline-2-carboxylate;fluoride?

potassium;5-bromo-2-methylpyrimidine;difluoro(prop-1-en-2-yl)borane;bis(4-(2-fluoro-4-methoxyphenyl)-7-[1-(2-methylpyrimidin-5-yl)propan-2-yl]quinoline-2-carboxamide);methyl 7-chloro-4-(2-fluoro-4-methoxyphenyl)quinoline-2-carboxylate;methyl 4-(2-fluoro-4-methoxyphenyl)-7-[1-(2-methylpyrimidin-5-yl)propan-2-yl]quinoline-2-carboxylate;methyl 4-(2-fluoro-4-methoxyphenyl)-7-prop-1-en-2-ylquinoline-2-carboxylate;fluoride has a molecular weight of 2324.58 g/mol, XLogP of 20.91, 26 rotatable bonds, 2 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for potassium;5-bromo-2-methylpyrimidine;difluoro(prop-1-en-2-yl)borane;bis(4-(2-fluoro-4-methoxyphenyl)-7-[1-(2-methylpyrimidin-5-yl)propan-2-yl]quinoline-2-carboxamide);methyl 7-chloro-4-(2-fluoro-4-methoxyphenyl)quinoline-2-carboxylate;methyl 4-(2-fluoro-4-methoxyphenyl)-7-[1-(2-methylpyrimidin-5-yl)propan-2-yl]quinoline-2-carboxylate;methyl 4-(2-fluoro-4-methoxyphenyl)-7-prop-1-en-2-ylquinoline-2-carboxylate;fluoride is sourced from PubChem (CID 160802505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).