3-[(E)-3-(5-bromo-2-pyridinyl)prop-2-enoyl]-6-chloro-4-phenyl-1H-quinolin-2-one;6-chloro-3-[(E)-3-(2,4-difluorophenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-3-[(E)-3-(2,6-difluorophenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-3-[(E)-3-(2-fluoro-4-methoxyphenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-3-[(E)-3-(5-methyl-2-pyridinyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-4-phenyl-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one

C143H91BrCl6F5N9O13 — CID 158092925

About 3-[(E)-3-(5-bromo-2-pyridinyl)prop-2-enoyl]-6-chloro-4-phenyl-1H-quinolin-2-one;6-chloro-3-[(E)-3-(2,4-difluorophenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-3-[(E)-3-(2,6-difluorophenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-3-[(E)-3-(2-fluoro-4-methoxyphenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-3-[(E)-3-(5-methyl-2-pyridinyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-4-phenyl-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one

3-[(E)-3-(5-bromo-2-pyridinyl)prop-2-enoyl]-6-chloro-4-phenyl-1H-quinolin-2-one;6-chloro-3-[(E)-3-(2,4-difluorophenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-3-[(E)-3-(2,6-difluorophenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-3-[(E)-3-(2-fluoro-4-methoxyphenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-3-[(E)-3-(5-methyl-2-pyridinyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-4-phenyl-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one (PubChem CID 158092925) has the molecular formula C143H91BrCl6F5N9O13 and a molecular weight of 2530.96 g/mol. Its IUPAC name is 3-[(E)-3-(5-bromo-2-pyridinyl)prop-2-enoyl]-6-chloro-4-phenyl-1H-quinolin-2-one;6-chloro-3-[(E)-3-(2,4-difluorophenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-3-[(E)-3-(2,6-difluorophenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-3-[(E)-3-(2-fluoro-4-methoxyphenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-3-[(E)-3-(5-methyl-2-pyridinyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-4-phenyl-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one.

Molecular Properties

• Compound Name: 3-[(E)-3-(5-bromo-2-pyridinyl)prop-2-enoyl]-6-chloro-4-phenyl-1H-quinolin-2-one;6-chloro-3-[(E)-3-(2,4-difluorophenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-3-[(E)-3-(2,6-difluorophenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-3-[(E)-3-(2-fluoro-4-methoxyphenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-3-[(E)-3-(5-methyl-2-pyridinyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-4-phenyl-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one
• PubChem CID: 158092925
• Molecular Formula: C143H91BrCl6F5N9O13
• Molecular Weight: 2530.96 g/mol
• Exact Mass: 2525.40
• IUPAC Name: 3-[(E)-3-(5-bromo-2-pyridinyl)prop-2-enoyl]-6-chloro-4-phenyl-1H-quinolin-2-one;6-chloro-3-[(E)-3-(2,4-difluorophenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-3-[(E)-3-(2,6-difluorophenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-3-[(E)-3-(2-fluoro-4-methoxyphenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-3-[(E)-3-(5-methyl-2-pyridinyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-4-phenyl-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one
• SMILES: COc1ccc(/C=C/C(=O)c2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)c(F)c1.Cc1ccc(/C=C/C(=O)c2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)nc1.O=C(/C=C/c1c(F)cccc1F)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O.O=C(/C=C/c1ccc(Br)cn1)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O.O=C(/C=C/c1ccc(F)cc1F)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O.O=C(/C=C/c1ccccn1)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O
• InChI: InChI=1S/C25H17ClFNO3.2C24H14ClF2NO2.C24H17ClN2O2.C23H14BrClN2O2.C23H15ClN2O2/c1-31-18-10-7-15(20(27)14-18)8-12-22(29)24-23(16-5-3-2-4-6-16)19-13-17(26)9-11-21(19)28-25(24)30;25-15-9-11-20-17(13-15)22(14-5-2-1-3-6-14)23(24(30)28-20)21(29)12-10-16-18(26)7-4-8-19(16)27;25-16-8-10-20-18(12-16)22(15-4-2-1-3-5-15)23(24(30)28-20)21(29)11-7-14-6-9-17(26)13-19(14)27;1-15-7-9-18(26-14-15)10-12-21(28)23-22(16-5-3-2-4-6-16)19-13-17(25)8-11-20(19)27-24(23)29;24-15-6-8-17(26-13-15)9-11-20(28)22-21(14-4-2-1-3-5-14)18-12-16(25)7-10-19(18)27-23(22)29;24-16-9-11-19-18(14-16)21(15-6-2-1-3-7-15)22(23(28)26-19)20(27)12-10-17-8-4-5-13-25-17/h2-14H,1H3,(H,28,30);2*1-13H,(H,28,30);2-14H,1H3,(H,27,29);1-13H,(H,27,29);1-14H,(H,26,28)/b12-8+;12-10+;11-7+;12-10+;11-9+;12-10+
• InChIKey: FOIBOXDMABESLE-AXTAZWBNSA-N
• XLogP: 34.43
• TPSA: 347.48 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 16
• Rotatable Bonds: 25
• Heavy Atoms: 177
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2530.96
LogP ≤ 5	34.43
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-3-(5-bromo-2-pyridinyl)prop-2-enoyl]-6-chloro-4-phenyl-1H-quinolin-2-one;6-chloro-3-[(E)-3-(2,4-difluorophenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-3-[(E)-3-(2,6-difluorophenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-3-[(E)-3-(2-fluoro-4-methoxyphenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-3-[(E)-3-(5-methyl-2-pyridinyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-4-phenyl-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one?

The IUPAC name of 3-[(E)-3-(5-bromo-2-pyridinyl)prop-2-enoyl]-6-chloro-4-phenyl-1H-quinolin-2-one;6-chloro-3-[(E)-3-(2,4-difluorophenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-3-[(E)-3-(2,6-difluorophenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-3-[(E)-3-(2-fluoro-4-methoxyphenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-3-[(E)-3-(5-methyl-2-pyridinyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-4-phenyl-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one (CID 158092925) is 3-[(E)-3-(5-bromo-2-pyridinyl)prop-2-enoyl]-6-chloro-4-phenyl-1H-quinolin-2-one;6-chloro-3-[(E)-3-(2,4-difluorophenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-3-[(E)-3-(2,6-difluorophenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-3-[(E)-3-(2-fluoro-4-methoxyphenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-3-[(E)-3-(5-methyl-2-pyridinyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-4-phenyl-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one.

What is the SMILES notation for 3-[(E)-3-(5-bromo-2-pyridinyl)prop-2-enoyl]-6-chloro-4-phenyl-1H-quinolin-2-one;6-chloro-3-[(E)-3-(2,4-difluorophenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-3-[(E)-3-(2,6-difluorophenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-3-[(E)-3-(2-fluoro-4-methoxyphenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-3-[(E)-3-(5-methyl-2-pyridinyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-4-phenyl-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one?

The canonical SMILES for 3-[(E)-3-(5-bromo-2-pyridinyl)prop-2-enoyl]-6-chloro-4-phenyl-1H-quinolin-2-one;6-chloro-3-[(E)-3-(2,4-difluorophenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-3-[(E)-3-(2,6-difluorophenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-3-[(E)-3-(2-fluoro-4-methoxyphenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-3-[(E)-3-(5-methyl-2-pyridinyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-4-phenyl-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one is COc1ccc(/C=C/C(=O)c2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)c(F)c1.Cc1ccc(/C=C/C(=O)c2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)nc1.O=C(/C=C/c1c(F)cccc1F)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O.O=C(/C=C/c1ccc(Br)cn1)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O.O=C(/C=C/c1ccc(F)cc1F)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O.O=C(/C=C/c1ccccn1)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O.

What is the InChIKey of 3-[(E)-3-(5-bromo-2-pyridinyl)prop-2-enoyl]-6-chloro-4-phenyl-1H-quinolin-2-one;6-chloro-3-[(E)-3-(2,4-difluorophenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-3-[(E)-3-(2,6-difluorophenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-3-[(E)-3-(2-fluoro-4-methoxyphenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-3-[(E)-3-(5-methyl-2-pyridinyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-4-phenyl-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one?

The InChIKey is FOIBOXDMABESLE-AXTAZWBNSA-N. The full InChI is InChI=1S/C25H17ClFNO3.2C24H14ClF2NO2.C24H17ClN2O2.C23H14BrClN2O2.C23H15ClN2O2/c1-31-18-10-7-15(20(27)14-18)8-12-22(29)24-23(16-5-3-2-4-6-16)19-13-17(26)9-11-21(19)28-25(24)30;25-15-9-11-20-17(13-15)22(14-5-2-1-3-6-14)23(24(30)28-20)21(29)12-10-16-18(26)7-4-8-19(16)27;25-16-8-10-20-18(12-16)22(15-4-2-1-3-5-15)23(24(30)28-20)21(29)11-7-14-6-9-17(26)13-19(14)27;1-15-7-9-18(26-14-15)10-12-21(28)23-22(16-5-3-2-4-6-16)19-13-17(25)8-11-20(19)27-24(23)29;24-15-6-8-17(26-13-15)9-11-20(28)22-21(14-4-2-1-3-5-14)18-12-16(25)7-10-19(18)27-23(22)29;24-16-9-11-19-18(14-16)21(15-6-2-1-3-7-15)22(23(28)26-19)20(27)12-10-17-8-4-5-13-25-17/h2-14H,1H3,(H,28,30);2*1-13H,(H,28,30);2-14H,1H3,(H,27,29);1-13H,(H,27,29);1-14H,(H,26,28)/b12-8+;12-10+;11-7+;12-10+;11-9+;12-10+.

What are the key properties of 3-[(E)-3-(5-bromo-2-pyridinyl)prop-2-enoyl]-6-chloro-4-phenyl-1H-quinolin-2-one;6-chloro-3-[(E)-3-(2,4-difluorophenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-3-[(E)-3-(2,6-difluorophenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-3-[(E)-3-(2-fluoro-4-methoxyphenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-3-[(E)-3-(5-methyl-2-pyridinyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-4-phenyl-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one?

3-[(E)-3-(5-bromo-2-pyridinyl)prop-2-enoyl]-6-chloro-4-phenyl-1H-quinolin-2-one;6-chloro-3-[(E)-3-(2,4-difluorophenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-3-[(E)-3-(2,6-difluorophenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-3-[(E)-3-(2-fluoro-4-methoxyphenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-3-[(E)-3-(5-methyl-2-pyridinyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-4-phenyl-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one has a molecular weight of 2530.96 g/mol, XLogP of 34.43, 25 rotatable bonds, 6 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(E)-3-(5-bromo-2-pyridinyl)prop-2-enoyl]-6-chloro-4-phenyl-1H-quinolin-2-one;6-chloro-3-[(E)-3-(2,4-difluorophenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-3-[(E)-3-(2,6-difluorophenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-3-[(E)-3-(2-fluoro-4-methoxyphenyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-3-[(E)-3-(5-methyl-2-pyridinyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-4-phenyl-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one is sourced from PubChem (CID 158092925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).