4-(4-bromophenyl)-6-chloro-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-1H-quinolin-2-one;4-(4-bromophenyl)-6-chloro-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one;6-chloro-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-4-(4-isocyanophenyl)-1H-quinolin-2-one;6-chloro-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-4-(4-methyl-2-pyridinyl)-1H-quinolin-2-one;6-chloro-4-(4-isocyanophenyl)-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one;6-chloro-4-(4-methyl-2-pyridinyl)-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one

C140H85Br2Cl6F3N16O12 — CID 160809717

About 4-(4-bromophenyl)-6-chloro-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-1H-quinolin-2-one;4-(4-bromophenyl)-6-chloro-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one;6-chloro-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-4-(4-isocyanophenyl)-1H-quinolin-2-one;6-chloro-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-4-(4-methyl-2-pyridinyl)-1H-quinolin-2-one;6-chloro-4-(4-isocyanophenyl)-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one;6-chloro-4-(4-methyl-2-pyridinyl)-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one

4-(4-bromophenyl)-6-chloro-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-1H-quinolin-2-one;4-(4-bromophenyl)-6-chloro-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one;6-chloro-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-4-(4-isocyanophenyl)-1H-quinolin-2-one;6-chloro-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-4-(4-methyl-2-pyridinyl)-1H-quinolin-2-one;6-chloro-4-(4-isocyanophenyl)-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one;6-chloro-4-(4-methyl-2-pyridinyl)-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one (PubChem CID 160809717) has the molecular formula C140H85Br2Cl6F3N16O12 and a molecular weight of 2612.84 g/mol. Its IUPAC name is 4-(4-bromophenyl)-6-chloro-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-1H-quinolin-2-one;4-(4-bromophenyl)-6-chloro-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one;6-chloro-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-4-(4-isocyanophenyl)-1H-quinolin-2-one;6-chloro-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-4-(4-methyl-2-pyridinyl)-1H-quinolin-2-one;6-chloro-4-(4-isocyanophenyl)-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one;6-chloro-4-(4-methyl-2-pyridinyl)-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one.

Molecular Properties

• Compound Name: 4-(4-bromophenyl)-6-chloro-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-1H-quinolin-2-one;4-(4-bromophenyl)-6-chloro-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one;6-chloro-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-4-(4-isocyanophenyl)-1H-quinolin-2-one;6-chloro-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-4-(4-methyl-2-pyridinyl)-1H-quinolin-2-one;6-chloro-4-(4-isocyanophenyl)-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one;6-chloro-4-(4-methyl-2-pyridinyl)-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one
• PubChem CID: 160809717
• Molecular Formula: C140H85Br2Cl6F3N16O12
• Molecular Weight: 2612.84 g/mol
• Exact Mass: 2606.30
• IUPAC Name: 4-(4-bromophenyl)-6-chloro-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-1H-quinolin-2-one;4-(4-bromophenyl)-6-chloro-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one;6-chloro-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-4-(4-isocyanophenyl)-1H-quinolin-2-one;6-chloro-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-4-(4-methyl-2-pyridinyl)-1H-quinolin-2-one;6-chloro-4-(4-isocyanophenyl)-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one;6-chloro-4-(4-methyl-2-pyridinyl)-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one
• SMILES: Cc1ccnc(-c2c(C(=O)/C=C/c3ccccn3)c(=O)[nH]c3ccc(Cl)cc23)c1.Cc1ccnc(-c2c(C(=O)/C=C/c3cncc(F)c3)c(=O)[nH]c3ccc(Cl)cc23)c1.O=C(/C=C/c1ccccn1)c1c(-c2ccc(Br)cc2)c2cc(Cl)ccc2[nH]c1=O.O=C(/C=C/c1cncc(F)c1)c1c(-c2ccc(Br)cc2)c2cc(Cl)ccc2[nH]c1=O.[C-]#[N+]c1ccc(-c2c(C(=O)/C=C/c3ccccn3)c(=O)[nH]c3ccc(Cl)cc23)cc1.[C-]#[N+]c1ccc(-c2c(C(=O)/C=C/c3cncc(F)c3)c(=O)[nH]c3ccc(Cl)cc23)cc1
• InChI: InChI=1S/C24H13ClFN3O2.C24H14ClN3O2.C23H13BrClFN2O2.C23H14BrClN2O2.C23H15ClFN3O2.C23H16ClN3O2/c1-27-18-6-3-15(4-7-18)22-19-11-16(25)5-8-20(19)29-24(31)23(22)21(30)9-2-14-10-17(26)13-28-12-14;1-26-17-8-5-15(6-9-17)22-19-14-16(25)7-11-20(19)28-24(30)23(22)21(29)12-10-18-4-2-3-13-27-18;24-15-4-2-14(3-5-15)21-18-10-16(25)6-7-19(18)28-23(30)22(21)20(29)8-1-13-9-17(26)12-27-11-13;24-15-6-4-14(5-7-15)21-18-13-16(25)8-10-19(18)27-23(29)22(21)20(28)11-9-17-3-1-2-12-26-17;1-13-6-7-27-19(8-13)21-17-10-15(24)3-4-18(17)28-23(30)22(21)20(29)5-2-14-9-16(25)12-26-11-14;1-14-9-11-26-19(12-14)21-17-13-15(24)5-7-18(17)27-23(29)22(21)20(28)8-6-16-4-2-3-10-25-16/h2-13H,(H,29,31);2-14H,(H,28,30);1-12H,(H,28,30);1-13H,(H,27,29);2-12H,1H3,(H,28,30);2-13H,1H3,(H,27,29)/b9-2+;12-10+;8-1+;11-9+;5-2+;8-6+
• InChIKey: SEDSLWAXIKIIFG-IPNZIOFQSA-N
• XLogP: 33.29
• TPSA: 411.42 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 20
• Rotatable Bonds: 24
• Heavy Atoms: 179
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2612.84
LogP ≤ 5	33.29
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 4-(4-bromophenyl)-6-chloro-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-1H-quinolin-2-one;4-(4-bromophenyl)-6-chloro-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one;6-chloro-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-4-(4-isocyanophenyl)-1H-quinolin-2-one;6-chloro-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-4-(4-methyl-2-pyridinyl)-1H-quinolin-2-one;6-chloro-4-(4-isocyanophenyl)-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one;6-chloro-4-(4-methyl-2-pyridinyl)-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one (CID 160809717) is 4-(4-bromophenyl)-6-chloro-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-1H-quinolin-2-one;4-(4-bromophenyl)-6-chloro-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one;6-chloro-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-4-(4-isocyanophenyl)-1H-quinolin-2-one;6-chloro-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-4-(4-methyl-2-pyridinyl)-1H-quinolin-2-one;6-chloro-4-(4-isocyanophenyl)-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one;6-chloro-4-(4-methyl-2-pyridinyl)-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one.

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

The canonical SMILES for 4-(4-bromophenyl)-6-chloro-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-1H-quinolin-2-one;4-(4-bromophenyl)-6-chloro-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one;6-chloro-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-4-(4-isocyanophenyl)-1H-quinolin-2-one;6-chloro-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-4-(4-methyl-2-pyridinyl)-1H-quinolin-2-one;6-chloro-4-(4-isocyanophenyl)-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one;6-chloro-4-(4-methyl-2-pyridinyl)-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one is Cc1ccnc(-c2c(C(=O)/C=C/c3ccccn3)c(=O)[nH]c3ccc(Cl)cc23)c1.Cc1ccnc(-c2c(C(=O)/C=C/c3cncc(F)c3)c(=O)[nH]c3ccc(Cl)cc23)c1.O=C(/C=C/c1ccccn1)c1c(-c2ccc(Br)cc2)c2cc(Cl)ccc2[nH]c1=O.O=C(/C=C/c1cncc(F)c1)c1c(-c2ccc(Br)cc2)c2cc(Cl)ccc2[nH]c1=O.[C-]#[N+]c1ccc(-c2c(C(=O)/C=C/c3ccccn3)c(=O)[nH]c3ccc(Cl)cc23)cc1.[C-]#[N+]c1ccc(-c2c(C(=O)/C=C/c3cncc(F)c3)c(=O)[nH]c3ccc(Cl)cc23)cc1.

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

The InChIKey is SEDSLWAXIKIIFG-IPNZIOFQSA-N. The full InChI is InChI=1S/C24H13ClFN3O2.C24H14ClN3O2.C23H13BrClFN2O2.C23H14BrClN2O2.C23H15ClFN3O2.C23H16ClN3O2/c1-27-18-6-3-15(4-7-18)22-19-11-16(25)5-8-20(19)29-24(31)23(22)21(30)9-2-14-10-17(26)13-28-12-14;1-26-17-8-5-15(6-9-17)22-19-14-16(25)7-11-20(19)28-24(30)23(22)21(29)12-10-18-4-2-3-13-27-18;24-15-4-2-14(3-5-15)21-18-10-16(25)6-7-19(18)28-23(30)22(21)20(29)8-1-13-9-17(26)12-27-11-13;24-15-6-4-14(5-7-15)21-18-13-16(25)8-10-19(18)27-23(29)22(21)20(28)11-9-17-3-1-2-12-26-17;1-13-6-7-27-19(8-13)21-17-10-15(24)3-4-18(17)28-23(30)22(21)20(29)5-2-14-9-16(25)12-26-11-14;1-14-9-11-26-19(12-14)21-17-13-15(24)5-7-18(17)27-23(29)22(21)20(28)8-6-16-4-2-3-10-25-16/h2-13H,(H,29,31);2-14H,(H,28,30);1-12H,(H,28,30);1-13H,(H,27,29);2-12H,1H3,(H,28,30);2-13H,1H3,(H,27,29)/b9-2+;12-10+;8-1+;11-9+;5-2+;8-6+.

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

4-(4-bromophenyl)-6-chloro-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-1H-quinolin-2-one;4-(4-bromophenyl)-6-chloro-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one;6-chloro-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-4-(4-isocyanophenyl)-1H-quinolin-2-one;6-chloro-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-4-(4-methyl-2-pyridinyl)-1H-quinolin-2-one;6-chloro-4-(4-isocyanophenyl)-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one;6-chloro-4-(4-methyl-2-pyridinyl)-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one has a molecular weight of 2612.84 g/mol, XLogP of 33.29, 24 rotatable bonds, 6 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(4-bromophenyl)-6-chloro-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-1H-quinolin-2-one;4-(4-bromophenyl)-6-chloro-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one;6-chloro-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-4-(4-isocyanophenyl)-1H-quinolin-2-one;6-chloro-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-4-(4-methyl-2-pyridinyl)-1H-quinolin-2-one;6-chloro-4-(4-isocyanophenyl)-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one;6-chloro-4-(4-methyl-2-pyridinyl)-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one is sourced from PubChem (CID 160809717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).