2-[[7-[3-fluoro-4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-(2-methylquinolin-6-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;N-[5-[5-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]quinolin-7-yl]-2-pyridinyl]acetamide;(4R)-4-[(1R)-1-(7-quinolin-2-ylquinolin-5-yl)oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-[6-(trifluoromethyl)-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one

C116H104F4N16O12S — CID 158043734

About 2-[[7-[3-fluoro-4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-(2-methylquinolin-6-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;N-[5-[5-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]quinolin-7-yl]-2-pyridinyl]acetamide;(4R)-4-[(1R)-1-(7-quinolin-2-ylquinolin-5-yl)oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-[6-(trifluoromethyl)-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one

2-[[7-[3-fluoro-4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-(2-methylquinolin-6-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;N-[5-[5-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]quinolin-7-yl]-2-pyridinyl]acetamide;(4R)-4-[(1R)-1-(7-quinolin-2-ylquinolin-5-yl)oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-[6-(trifluoromethyl)-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one (PubChem CID 158043734) has the molecular formula C116H104F4N16O12S and a molecular weight of 2022.27 g/mol. Its IUPAC name is 2-[[7-[3-fluoro-4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-(2-methylquinolin-6-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;N-[5-[5-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]quinolin-7-yl]-2-pyridinyl]acetamide;(4R)-4-[(1R)-1-(7-quinolin-2-ylquinolin-5-yl)oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-[6-(trifluoromethyl)-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one.

Molecular Properties

• Compound Name: 2-[[7-[3-fluoro-4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-(2-methylquinolin-6-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;N-[5-[5-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]quinolin-7-yl]-2-pyridinyl]acetamide;(4R)-4-[(1R)-1-(7-quinolin-2-ylquinolin-5-yl)oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-[6-(trifluoromethyl)-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one
• PubChem CID: 158043734
• Molecular Formula: C116H104F4N16O12S
• Molecular Weight: 2022.27 g/mol
• Exact Mass: 2020.77
• IUPAC Name: 2-[[7-[3-fluoro-4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-(2-methylquinolin-6-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;N-[5-[5-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]quinolin-7-yl]-2-pyridinyl]acetamide;(4R)-4-[(1R)-1-(7-quinolin-2-ylquinolin-5-yl)oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-[6-(trifluoromethyl)-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one
• SMILES: C=S(C)(=O)c1ccc(-c2cc(OCc3ncccc3C(N)=O)c3cccnc3c2)cc1F.CC(=O)Nc1ccc(-c2cc(O[C@H](C)[C@H]3CNC(=O)C3)c3cccnc3c2)cn1.C[C@@H](Oc1cc(-c2ccc(C(F)(F)F)nc2)cc2ncccc12)[C@H]1CNC(=O)C1.C[C@@H](Oc1cc(-c2ccc3ccccc3n2)cc2ncccc12)[C@H]1CNC(=O)C1.Cc1ccc2cc(-c3cc(O[C@H](C)[C@H]4CNC(=O)C4)c4cccnc4c3)ccc2n1
• InChI: InChI=1S/C25H23N3O2.C24H20FN3O3S.C24H21N3O2.C22H22N4O3.C21H18F3N3O2/c1-15-5-6-18-10-17(7-8-22(18)28-15)19-11-23-21(4-3-9-26-23)24(12-19)30-16(2)20-13-25(29)27-14-20;1-32(2,30)23-8-7-15(11-19(23)25)16-12-20-17(5-3-9-27-20)22(13-16)31-14-21-18(24(26)29)6-4-10-28-21;1-15(18-13-24(28)26-14-18)29-23-12-17(11-22-19(23)6-4-10-25-22)21-9-8-16-5-2-3-7-20(16)27-21;1-13(17-10-22(28)25-12-17)29-20-9-16(8-19-18(20)4-3-7-23-19)15-5-6-21(24-11-15)26-14(2)27;1-12(15-9-20(28)27-11-15)29-18-8-14(7-17-16(18)3-2-6-25-17)13-4-5-19(26-10-13)21(22,23)24/h3-12,16,20H,13-14H2,1-2H3,(H,27,29);3-13H,1,14H2,2H3,(H2,26,29);2-12,15,18H,13-14H2,1H3,(H,26,28);3-9,11,13,17H,10,12H2,1-2H3,(H,25,28)(H,24,26,27);2-8,10,12,15H,9,11H2,1H3,(H,27,28)/t16-,20-;;15-,18-;13-,17-;12-,15-/m1.111/s1
• InChIKey: FIQWLBJQVQMQIJ-ICGQOQDMSA-N
• XLogP: 20.21
• TPSA: 380.71 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 22
• Rotatable Bonds: 23
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2022.27
LogP ≤ 5	20.21
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[[7-[3-fluoro-4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-(2-methylquinolin-6-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;N-[5-[5-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]quinolin-7-yl]-2-pyridinyl]acetamide;(4R)-4-[(1R)-1-(7-quinolin-2-ylquinolin-5-yl)oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-[6-(trifluoromethyl)-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one?

The IUPAC name of 2-[[7-[3-fluoro-4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-(2-methylquinolin-6-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;N-[5-[5-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]quinolin-7-yl]-2-pyridinyl]acetamide;(4R)-4-[(1R)-1-(7-quinolin-2-ylquinolin-5-yl)oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-[6-(trifluoromethyl)-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one (CID 158043734) is 2-[[7-[3-fluoro-4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-(2-methylquinolin-6-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;N-[5-[5-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]quinolin-7-yl]-2-pyridinyl]acetamide;(4R)-4-[(1R)-1-(7-quinolin-2-ylquinolin-5-yl)oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-[6-(trifluoromethyl)-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one.

What is the SMILES notation for 2-[[7-[3-fluoro-4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-(2-methylquinolin-6-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;N-[5-[5-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]quinolin-7-yl]-2-pyridinyl]acetamide;(4R)-4-[(1R)-1-(7-quinolin-2-ylquinolin-5-yl)oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-[6-(trifluoromethyl)-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one?

The canonical SMILES for 2-[[7-[3-fluoro-4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-(2-methylquinolin-6-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;N-[5-[5-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]quinolin-7-yl]-2-pyridinyl]acetamide;(4R)-4-[(1R)-1-(7-quinolin-2-ylquinolin-5-yl)oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-[6-(trifluoromethyl)-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one is C=S(C)(=O)c1ccc(-c2cc(OCc3ncccc3C(N)=O)c3cccnc3c2)cc1F.CC(=O)Nc1ccc(-c2cc(O[C@H](C)[C@H]3CNC(=O)C3)c3cccnc3c2)cn1.C[C@@H](Oc1cc(-c2ccc(C(F)(F)F)nc2)cc2ncccc12)[C@H]1CNC(=O)C1.C[C@@H](Oc1cc(-c2ccc3ccccc3n2)cc2ncccc12)[C@H]1CNC(=O)C1.Cc1ccc2cc(-c3cc(O[C@H](C)[C@H]4CNC(=O)C4)c4cccnc4c3)ccc2n1.

What is the InChIKey of 2-[[7-[3-fluoro-4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-(2-methylquinolin-6-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;N-[5-[5-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]quinolin-7-yl]-2-pyridinyl]acetamide;(4R)-4-[(1R)-1-(7-quinolin-2-ylquinolin-5-yl)oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-[6-(trifluoromethyl)-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one?

The InChIKey is FIQWLBJQVQMQIJ-ICGQOQDMSA-N. The full InChI is InChI=1S/C25H23N3O2.C24H20FN3O3S.C24H21N3O2.C22H22N4O3.C21H18F3N3O2/c1-15-5-6-18-10-17(7-8-22(18)28-15)19-11-23-21(4-3-9-26-23)24(12-19)30-16(2)20-13-25(29)27-14-20;1-32(2,30)23-8-7-15(11-19(23)25)16-12-20-17(5-3-9-27-20)22(13-16)31-14-21-18(24(26)29)6-4-10-28-21;1-15(18-13-24(28)26-14-18)29-23-12-17(11-22-19(23)6-4-10-25-22)21-9-8-16-5-2-3-7-20(16)27-21;1-13(17-10-22(28)25-12-17)29-20-9-16(8-19-18(20)4-3-7-23-19)15-5-6-21(24-11-15)26-14(2)27;1-12(15-9-20(28)27-11-15)29-18-8-14(7-17-16(18)3-2-6-25-17)13-4-5-19(26-10-13)21(22,23)24/h3-12,16,20H,13-14H2,1-2H3,(H,27,29);3-13H,1,14H2,2H3,(H2,26,29);2-12,15,18H,13-14H2,1H3,(H,26,28);3-9,11,13,17H,10,12H2,1-2H3,(H,25,28)(H,24,26,27);2-8,10,12,15H,9,11H2,1H3,(H,27,28)/t16-,20-;;15-,18-;13-,17-;12-,15-/m1.111/s1.

What are the key properties of 2-[[7-[3-fluoro-4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-(2-methylquinolin-6-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;N-[5-[5-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]quinolin-7-yl]-2-pyridinyl]acetamide;(4R)-4-[(1R)-1-(7-quinolin-2-ylquinolin-5-yl)oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-[6-(trifluoromethyl)-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one?

2-[[7-[3-fluoro-4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-(2-methylquinolin-6-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;N-[5-[5-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]quinolin-7-yl]-2-pyridinyl]acetamide;(4R)-4-[(1R)-1-(7-quinolin-2-ylquinolin-5-yl)oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-[6-(trifluoromethyl)-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one has a molecular weight of 2022.27 g/mol, XLogP of 20.21, 23 rotatable bonds, 6 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[7-[3-fluoro-4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-(2-methylquinolin-6-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;N-[5-[5-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]quinolin-7-yl]-2-pyridinyl]acetamide;(4R)-4-[(1R)-1-(7-quinolin-2-ylquinolin-5-yl)oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-[6-(trifluoromethyl)-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one is sourced from PubChem (CID 158043734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).