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

C113H72Cl5F4N15O12 — CID 158797031

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

6-chloro-4-(5-fluoro-3-pyridinyl)-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-1H-quinolin-2-one;6-chloro-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-4-(5-methoxy-3-pyridinyl)-1H-quinolin-2-one;6-chloro-4-(5-fluoro-3-pyridinyl)-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one;6-chloro-4-(5-methoxy-3-pyridinyl)-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one;6-chloro-4-(5-methyl-3-pyridinyl)-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one (PubChem CID 158797031) has the molecular formula C113H72Cl5F4N15O12 and a molecular weight of 2085.17 g/mol. Its IUPAC name is 6-chloro-4-(5-fluoro-3-pyridinyl)-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-1H-quinolin-2-one;6-chloro-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-4-(5-methoxy-3-pyridinyl)-1H-quinolin-2-one;6-chloro-4-(5-fluoro-3-pyridinyl)-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one;6-chloro-4-(5-methoxy-3-pyridinyl)-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one;6-chloro-4-(5-methyl-3-pyridinyl)-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one.

Molecular Properties

• Compound Name: 6-chloro-4-(5-fluoro-3-pyridinyl)-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-1H-quinolin-2-one;6-chloro-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-4-(5-methoxy-3-pyridinyl)-1H-quinolin-2-one;6-chloro-4-(5-fluoro-3-pyridinyl)-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one;6-chloro-4-(5-methoxy-3-pyridinyl)-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one;6-chloro-4-(5-methyl-3-pyridinyl)-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one
• PubChem CID: 158797031
• Molecular Formula: C113H72Cl5F4N15O12
• Molecular Weight: 2085.17 g/mol
• Exact Mass: 2081.39
• IUPAC Name: 6-chloro-4-(5-fluoro-3-pyridinyl)-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-1H-quinolin-2-one;6-chloro-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-4-(5-methoxy-3-pyridinyl)-1H-quinolin-2-one;6-chloro-4-(5-fluoro-3-pyridinyl)-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one;6-chloro-4-(5-methoxy-3-pyridinyl)-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one;6-chloro-4-(5-methyl-3-pyridinyl)-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one
• SMILES: COc1cncc(-c2c(C(=O)/C=C/c3ccccn3)c(=O)[nH]c3ccc(Cl)cc23)c1.COc1cncc(-c2c(C(=O)/C=C/c3cncc(F)c3)c(=O)[nH]c3ccc(Cl)cc23)c1.Cc1cncc(-c2c(C(=O)/C=C/c3ccccn3)c(=O)[nH]c3ccc(Cl)cc23)c1.O=C(/C=C/c1ccccn1)c1c(-c2cncc(F)c2)c2cc(Cl)ccc2[nH]c1=O.O=C(/C=C/c1cncc(F)c1)c1c(-c2cncc(F)c2)c2cc(Cl)ccc2[nH]c1=O
• InChI: InChI=1S/C23H15ClFN3O3.C23H16ClN3O3.C23H16ClN3O2.C22H12ClF2N3O2.C22H13ClFN3O2/c1-31-17-7-14(10-27-12-17)21-18-8-15(24)3-4-19(18)28-23(30)22(21)20(29)5-2-13-6-16(25)11-26-9-13;1-30-17-10-14(12-25-13-17)21-18-11-15(24)5-7-19(18)27-23(29)22(21)20(28)8-6-16-4-2-3-9-26-16;1-14-10-15(13-25-12-14)21-18-11-16(24)5-7-19(18)27-23(29)22(21)20(28)8-6-17-4-2-3-9-26-17;23-14-2-3-18-17(7-14)20(13-6-16(25)11-27-9-13)21(22(30)28-18)19(29)4-1-12-5-15(24)10-26-8-12;23-14-4-6-18-17(10-14)20(13-9-15(24)12-25-11-13)21(22(29)27-18)19(28)7-5-16-3-1-2-8-26-16/h2-12H,1H3,(H,28,30);2-13H,1H3,(H,27,29);2-13H,1H3,(H,27,29);1-11H,(H,28,30);1-12H,(H,27,29)/b5-2+;2*8-6+;4-1+;7-5+
• InChIKey: ISZJQGAMJZDMRC-UTGBFWOYSA-N
• XLogP: 23.56
• TPSA: 397.01 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 22
• Rotatable Bonds: 22
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2085.17
LogP ≤ 5	23.56
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 6-chloro-4-(5-fluoro-3-pyridinyl)-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-1H-quinolin-2-one;6-chloro-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-4-(5-methoxy-3-pyridinyl)-1H-quinolin-2-one;6-chloro-4-(5-fluoro-3-pyridinyl)-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one;6-chloro-4-(5-methoxy-3-pyridinyl)-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one;6-chloro-4-(5-methyl-3-pyridinyl)-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one (CID 158797031) is 6-chloro-4-(5-fluoro-3-pyridinyl)-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-1H-quinolin-2-one;6-chloro-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-4-(5-methoxy-3-pyridinyl)-1H-quinolin-2-one;6-chloro-4-(5-fluoro-3-pyridinyl)-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one;6-chloro-4-(5-methoxy-3-pyridinyl)-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one;6-chloro-4-(5-methyl-3-pyridinyl)-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one.

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

The canonical SMILES for 6-chloro-4-(5-fluoro-3-pyridinyl)-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-1H-quinolin-2-one;6-chloro-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-4-(5-methoxy-3-pyridinyl)-1H-quinolin-2-one;6-chloro-4-(5-fluoro-3-pyridinyl)-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one;6-chloro-4-(5-methoxy-3-pyridinyl)-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one;6-chloro-4-(5-methyl-3-pyridinyl)-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one is COc1cncc(-c2c(C(=O)/C=C/c3ccccn3)c(=O)[nH]c3ccc(Cl)cc23)c1.COc1cncc(-c2c(C(=O)/C=C/c3cncc(F)c3)c(=O)[nH]c3ccc(Cl)cc23)c1.Cc1cncc(-c2c(C(=O)/C=C/c3ccccn3)c(=O)[nH]c3ccc(Cl)cc23)c1.O=C(/C=C/c1ccccn1)c1c(-c2cncc(F)c2)c2cc(Cl)ccc2[nH]c1=O.O=C(/C=C/c1cncc(F)c1)c1c(-c2cncc(F)c2)c2cc(Cl)ccc2[nH]c1=O.

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

The InChIKey is ISZJQGAMJZDMRC-UTGBFWOYSA-N. The full InChI is InChI=1S/C23H15ClFN3O3.C23H16ClN3O3.C23H16ClN3O2.C22H12ClF2N3O2.C22H13ClFN3O2/c1-31-17-7-14(10-27-12-17)21-18-8-15(24)3-4-19(18)28-23(30)22(21)20(29)5-2-13-6-16(25)11-26-9-13;1-30-17-10-14(12-25-13-17)21-18-11-15(24)5-7-19(18)27-23(29)22(21)20(28)8-6-16-4-2-3-9-26-16;1-14-10-15(13-25-12-14)21-18-11-16(24)5-7-19(18)27-23(29)22(21)20(28)8-6-17-4-2-3-9-26-17;23-14-2-3-18-17(7-14)20(13-6-16(25)11-27-9-13)21(22(30)28-18)19(29)4-1-12-5-15(24)10-26-8-12;23-14-4-6-18-17(10-14)20(13-9-15(24)12-25-11-13)21(22(29)27-18)19(28)7-5-16-3-1-2-8-26-16/h2-12H,1H3,(H,28,30);2-13H,1H3,(H,27,29);2-13H,1H3,(H,27,29);1-11H,(H,28,30);1-12H,(H,27,29)/b5-2+;2*8-6+;4-1+;7-5+.

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

6-chloro-4-(5-fluoro-3-pyridinyl)-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-1H-quinolin-2-one;6-chloro-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-4-(5-methoxy-3-pyridinyl)-1H-quinolin-2-one;6-chloro-4-(5-fluoro-3-pyridinyl)-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one;6-chloro-4-(5-methoxy-3-pyridinyl)-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one;6-chloro-4-(5-methyl-3-pyridinyl)-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one has a molecular weight of 2085.17 g/mol, XLogP of 23.56, 22 rotatable bonds, 5 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-4-(5-fluoro-3-pyridinyl)-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-1H-quinolin-2-one;6-chloro-3-[(E)-3-(5-fluoro-3-pyridinyl)prop-2-enoyl]-4-(5-methoxy-3-pyridinyl)-1H-quinolin-2-one;6-chloro-4-(5-fluoro-3-pyridinyl)-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one;6-chloro-4-(5-methoxy-3-pyridinyl)-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one;6-chloro-4-(5-methyl-3-pyridinyl)-3-[(E)-3-pyridin-2-ylprop-2-enoyl]-1H-quinolin-2-one is sourced from PubChem (CID 158797031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).