6-chloro-4-(4-fluorophenyl)-3-[(E)-3-(6-fluoro-2-pyridinyl)prop-2-enoyl]-1H-quinolin-2-one;6-chloro-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-4-(4-methoxyphenyl)-1H-quinolin-2-one;6-chloro-3-[(E)-3-[5-(methoxymethyl)-3-pyridinyl]prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-3-[(E)-3-(5-methyl-3-pyridinyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-4-phenyl-3-[(E)-3-[5-(trifluoromethyl)-3-pyridinyl]prop-2-enoyl]-1H-quinolin-2-one

C120H79Cl5F6N10O12 — CID 157219017

About 6-chloro-4-(4-fluorophenyl)-3-[(E)-3-(6-fluoro-2-pyridinyl)prop-2-enoyl]-1H-quinolin-2-one;6-chloro-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-4-(4-methoxyphenyl)-1H-quinolin-2-one;6-chloro-3-[(E)-3-[5-(methoxymethyl)-3-pyridinyl]prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-3-[(E)-3-(5-methyl-3-pyridinyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-4-phenyl-3-[(E)-3-[5-(trifluoromethyl)-3-pyridinyl]prop-2-enoyl]-1H-quinolin-2-one

6-chloro-4-(4-fluorophenyl)-3-[(E)-3-(6-fluoro-2-pyridinyl)prop-2-enoyl]-1H-quinolin-2-one;6-chloro-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-4-(4-methoxyphenyl)-1H-quinolin-2-one;6-chloro-3-[(E)-3-[5-(methoxymethyl)-3-pyridinyl]prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-3-[(E)-3-(5-methyl-3-pyridinyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-4-phenyl-3-[(E)-3-[5-(trifluoromethyl)-3-pyridinyl]prop-2-enoyl]-1H-quinolin-2-one (PubChem CID 157219017) has the molecular formula C120H79Cl5F6N10O12 and a molecular weight of 2144.26 g/mol. Its IUPAC name is 6-chloro-4-(4-fluorophenyl)-3-[(E)-3-(6-fluoro-2-pyridinyl)prop-2-enoyl]-1H-quinolin-2-one;6-chloro-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-4-(4-methoxyphenyl)-1H-quinolin-2-one;6-chloro-3-[(E)-3-[5-(methoxymethyl)-3-pyridinyl]prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-3-[(E)-3-(5-methyl-3-pyridinyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-4-phenyl-3-[(E)-3-[5-(trifluoromethyl)-3-pyridinyl]prop-2-enoyl]-1H-quinolin-2-one.

Molecular Properties

• Compound Name: 6-chloro-4-(4-fluorophenyl)-3-[(E)-3-(6-fluoro-2-pyridinyl)prop-2-enoyl]-1H-quinolin-2-one;6-chloro-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-4-(4-methoxyphenyl)-1H-quinolin-2-one;6-chloro-3-[(E)-3-[5-(methoxymethyl)-3-pyridinyl]prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-3-[(E)-3-(5-methyl-3-pyridinyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-4-phenyl-3-[(E)-3-[5-(trifluoromethyl)-3-pyridinyl]prop-2-enoyl]-1H-quinolin-2-one
• PubChem CID: 157219017
• Molecular Formula: C120H79Cl5F6N10O12
• Molecular Weight: 2144.26 g/mol
• Exact Mass: 2140.42
• IUPAC Name: 6-chloro-4-(4-fluorophenyl)-3-[(E)-3-(6-fluoro-2-pyridinyl)prop-2-enoyl]-1H-quinolin-2-one;6-chloro-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-4-(4-methoxyphenyl)-1H-quinolin-2-one;6-chloro-3-[(E)-3-[5-(methoxymethyl)-3-pyridinyl]prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-3-[(E)-3-(5-methyl-3-pyridinyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-4-phenyl-3-[(E)-3-[5-(trifluoromethyl)-3-pyridinyl]prop-2-enoyl]-1H-quinolin-2-one
• SMILES: COCc1cncc(/C=C/C(=O)c2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)c1.COc1ccc(-c2c(C(=O)/C=C/c3cncc(F)c3)c(=O)[nH]c3ccc(Cl)cc23)cc1.Cc1cncc(/C=C/C(=O)c2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)c1.O=C(/C=C/c1cccc(F)n1)c1c(-c2ccc(F)cc2)c2cc(Cl)ccc2[nH]c1=O.O=C(/C=C/c1cncc(C(F)(F)F)c1)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O
• InChI: InChI=1S/C25H19ClN2O3.C24H14ClF3N2O2.C24H16ClFN2O3.C24H17ClN2O2.C23H13ClF2N2O2/c1-31-15-17-11-16(13-27-14-17)7-10-22(29)24-23(18-5-3-2-4-6-18)20-12-19(26)8-9-21(20)28-25(24)30;25-17-7-8-19-18(11-17)21(15-4-2-1-3-5-15)22(23(32)30-19)20(31)9-6-14-10-16(13-29-12-14)24(26,27)28;1-31-18-6-3-15(4-7-18)22-19-11-16(25)5-8-20(19)28-24(30)23(22)21(29)9-2-14-10-17(26)13-27-12-14;1-15-11-16(14-26-13-15)7-10-21(28)23-22(17-5-3-2-4-6-17)19-12-18(25)8-9-20(19)27-24(23)29;24-14-6-10-18-17(12-14)21(13-4-7-15(25)8-5-13)22(23(30)28-18)19(29)11-9-16-2-1-3-20(26)27-16/h2-14H,15H2,1H3,(H,28,30);1-13H,(H,30,32);2-13H,1H3,(H,28,30);2-14H,1H3,(H,27,29);1-12H,(H,28,30)/b10-7+;9-6+;9-2+;10-7+;11-9+
• InChIKey: ASTLJVCVVXMHMT-UYHFARIBSA-N
• XLogP: 27.60
• TPSA: 332.56 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 17
• Rotatable Bonds: 23
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2144.26
LogP ≤ 5	27.60
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-(4-fluorophenyl)-3-[(E)-3-(6-fluoro-2-pyridinyl)prop-2-enoyl]-1H-quinolin-2-one;6-chloro-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-4-(4-methoxyphenyl)-1H-quinolin-2-one;6-chloro-3-[(E)-3-[5-(methoxymethyl)-3-pyridinyl]prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-3-[(E)-3-(5-methyl-3-pyridinyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-4-phenyl-3-[(E)-3-[5-(trifluoromethyl)-3-pyridinyl]prop-2-enoyl]-1H-quinolin-2-one?

The IUPAC name of 6-chloro-4-(4-fluorophenyl)-3-[(E)-3-(6-fluoro-2-pyridinyl)prop-2-enoyl]-1H-quinolin-2-one;6-chloro-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-4-(4-methoxyphenyl)-1H-quinolin-2-one;6-chloro-3-[(E)-3-[5-(methoxymethyl)-3-pyridinyl]prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-3-[(E)-3-(5-methyl-3-pyridinyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-4-phenyl-3-[(E)-3-[5-(trifluoromethyl)-3-pyridinyl]prop-2-enoyl]-1H-quinolin-2-one (CID 157219017) is 6-chloro-4-(4-fluorophenyl)-3-[(E)-3-(6-fluoro-2-pyridinyl)prop-2-enoyl]-1H-quinolin-2-one;6-chloro-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-4-(4-methoxyphenyl)-1H-quinolin-2-one;6-chloro-3-[(E)-3-[5-(methoxymethyl)-3-pyridinyl]prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-3-[(E)-3-(5-methyl-3-pyridinyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-4-phenyl-3-[(E)-3-[5-(trifluoromethyl)-3-pyridinyl]prop-2-enoyl]-1H-quinolin-2-one.

What is the SMILES notation for 6-chloro-4-(4-fluorophenyl)-3-[(E)-3-(6-fluoro-2-pyridinyl)prop-2-enoyl]-1H-quinolin-2-one;6-chloro-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-4-(4-methoxyphenyl)-1H-quinolin-2-one;6-chloro-3-[(E)-3-[5-(methoxymethyl)-3-pyridinyl]prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-3-[(E)-3-(5-methyl-3-pyridinyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-4-phenyl-3-[(E)-3-[5-(trifluoromethyl)-3-pyridinyl]prop-2-enoyl]-1H-quinolin-2-one?

The canonical SMILES for 6-chloro-4-(4-fluorophenyl)-3-[(E)-3-(6-fluoro-2-pyridinyl)prop-2-enoyl]-1H-quinolin-2-one;6-chloro-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-4-(4-methoxyphenyl)-1H-quinolin-2-one;6-chloro-3-[(E)-3-[5-(methoxymethyl)-3-pyridinyl]prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-3-[(E)-3-(5-methyl-3-pyridinyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-4-phenyl-3-[(E)-3-[5-(trifluoromethyl)-3-pyridinyl]prop-2-enoyl]-1H-quinolin-2-one is COCc1cncc(/C=C/C(=O)c2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)c1.COc1ccc(-c2c(C(=O)/C=C/c3cncc(F)c3)c(=O)[nH]c3ccc(Cl)cc23)cc1.Cc1cncc(/C=C/C(=O)c2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)c1.O=C(/C=C/c1cccc(F)n1)c1c(-c2ccc(F)cc2)c2cc(Cl)ccc2[nH]c1=O.O=C(/C=C/c1cncc(C(F)(F)F)c1)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O.

What is the InChIKey of 6-chloro-4-(4-fluorophenyl)-3-[(E)-3-(6-fluoro-2-pyridinyl)prop-2-enoyl]-1H-quinolin-2-one;6-chloro-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-4-(4-methoxyphenyl)-1H-quinolin-2-one;6-chloro-3-[(E)-3-[5-(methoxymethyl)-3-pyridinyl]prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-3-[(E)-3-(5-methyl-3-pyridinyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-4-phenyl-3-[(E)-3-[5-(trifluoromethyl)-3-pyridinyl]prop-2-enoyl]-1H-quinolin-2-one?

The InChIKey is ASTLJVCVVXMHMT-UYHFARIBSA-N. The full InChI is InChI=1S/C25H19ClN2O3.C24H14ClF3N2O2.C24H16ClFN2O3.C24H17ClN2O2.C23H13ClF2N2O2/c1-31-15-17-11-16(13-27-14-17)7-10-22(29)24-23(18-5-3-2-4-6-18)20-12-19(26)8-9-21(20)28-25(24)30;25-17-7-8-19-18(11-17)21(15-4-2-1-3-5-15)22(23(32)30-19)20(31)9-6-14-10-16(13-29-12-14)24(26,27)28;1-31-18-6-3-15(4-7-18)22-19-11-16(25)5-8-20(19)28-24(30)23(22)21(29)9-2-14-10-17(26)13-27-12-14;1-15-11-16(14-26-13-15)7-10-21(28)23-22(17-5-3-2-4-6-17)19-12-18(25)8-9-20(19)27-24(23)29;24-14-6-10-18-17(12-14)21(13-4-7-15(25)8-5-13)22(23(30)28-18)19(29)11-9-16-2-1-3-20(26)27-16/h2-14H,15H2,1H3,(H,28,30);1-13H,(H,30,32);2-13H,1H3,(H,28,30);2-14H,1H3,(H,27,29);1-12H,(H,28,30)/b10-7+;9-6+;9-2+;10-7+;11-9+.

What are the key properties of 6-chloro-4-(4-fluorophenyl)-3-[(E)-3-(6-fluoro-2-pyridinyl)prop-2-enoyl]-1H-quinolin-2-one;6-chloro-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-4-(4-methoxyphenyl)-1H-quinolin-2-one;6-chloro-3-[(E)-3-[5-(methoxymethyl)-3-pyridinyl]prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-3-[(E)-3-(5-methyl-3-pyridinyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-4-phenyl-3-[(E)-3-[5-(trifluoromethyl)-3-pyridinyl]prop-2-enoyl]-1H-quinolin-2-one?

6-chloro-4-(4-fluorophenyl)-3-[(E)-3-(6-fluoro-2-pyridinyl)prop-2-enoyl]-1H-quinolin-2-one;6-chloro-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-4-(4-methoxyphenyl)-1H-quinolin-2-one;6-chloro-3-[(E)-3-[5-(methoxymethyl)-3-pyridinyl]prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-3-[(E)-3-(5-methyl-3-pyridinyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-4-phenyl-3-[(E)-3-[5-(trifluoromethyl)-3-pyridinyl]prop-2-enoyl]-1H-quinolin-2-one has a molecular weight of 2144.26 g/mol, XLogP of 27.60, 23 rotatable bonds, 5 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-4-(4-fluorophenyl)-3-[(E)-3-(6-fluoro-2-pyridinyl)prop-2-enoyl]-1H-quinolin-2-one;6-chloro-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-4-(4-methoxyphenyl)-1H-quinolin-2-one;6-chloro-3-[(E)-3-[5-(methoxymethyl)-3-pyridinyl]prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-3-[(E)-3-(5-methyl-3-pyridinyl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one;6-chloro-4-phenyl-3-[(E)-3-[5-(trifluoromethyl)-3-pyridinyl]prop-2-enoyl]-1H-quinolin-2-one is sourced from PubChem (CID 157219017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).