(4R)-4-[(1R)-1-[7-(1-methylbenzimidazol-5-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;2-[[7-(3-methyl-4-oxoquinazolin-7-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-[6-(methylsulfonylmethyl)-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one;2-[[7-[6-(methylsulfonylmethyl)-3-pyridinyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one

C116H103F3N20O15S2 — CID 159981095

About (4R)-4-[(1R)-1-[7-(1-methylbenzimidazol-5-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;2-[[7-(3-methyl-4-oxoquinazolin-7-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-[6-(methylsulfonylmethyl)-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one;2-[[7-[6-(methylsulfonylmethyl)-3-pyridinyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one

(4R)-4-[(1R)-1-[7-(1-methylbenzimidazol-5-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;2-[[7-(3-methyl-4-oxoquinazolin-7-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-[6-(methylsulfonylmethyl)-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one;2-[[7-[6-(methylsulfonylmethyl)-3-pyridinyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one (PubChem CID 159981095) has the molecular formula C116H103F3N20O15S2 and a molecular weight of 2138.35 g/mol. Its IUPAC name is (4R)-4-[(1R)-1-[7-(1-methylbenzimidazol-5-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;2-[[7-(3-methyl-4-oxoquinazolin-7-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-[6-(methylsulfonylmethyl)-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one;2-[[7-[6-(methylsulfonylmethyl)-3-pyridinyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one.

Molecular Properties

• Compound Name: (4R)-4-[(1R)-1-[7-(1-methylbenzimidazol-5-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;2-[[7-(3-methyl-4-oxoquinazolin-7-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-[6-(methylsulfonylmethyl)-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one;2-[[7-[6-(methylsulfonylmethyl)-3-pyridinyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one
• PubChem CID: 159981095
• Molecular Formula: C116H103F3N20O15S2
• Molecular Weight: 2138.35 g/mol
• Exact Mass: 2136.73
• IUPAC Name: (4R)-4-[(1R)-1-[7-(1-methylbenzimidazol-5-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;2-[[7-(3-methyl-4-oxoquinazolin-7-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-[6-(methylsulfonylmethyl)-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one;2-[[7-[6-(methylsulfonylmethyl)-3-pyridinyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one
• SMILES: CS(=O)(=O)Cc1ccc(-c2cc(OCc3ncccc3C(N)=O)c3cccnc3c2)cn1.C[C@@H](Oc1cc(-c2ccc(CS(C)(=O)=O)nc2)cc2ncccc12)[C@H]1CNC(=O)C1.C[C@@H](Oc1cc(-c2ccc3c(c2)ncn3C)cc2ncccc12)[C@H]1CNC(=O)C1.C[C@@H](Oc1cc(-c2ccc3nc(C(F)(F)F)[nH]c3c2)cc2ncccc12)[C@H]1CNC(=O)C1.Cn1cnc2cc(-c3cc(OCc4ncccc4C(N)=O)c4cccnc4c3)ccc2c1=O
• InChI: InChI=1S/C25H19N5O3.C23H19F3N4O2.C23H20N4O4S.C23H22N4O2.C22H23N3O4S/c1-30-14-29-21-10-15(6-7-19(21)25(30)32)16-11-20-17(4-2-8-27-20)23(12-16)33-13-22-18(24(26)31)5-3-9-28-22;1-12(15-10-21(31)28-11-15)32-20-9-14(8-18-16(20)3-2-6-27-18)13-4-5-17-19(7-13)30-22(29-17)23(24,25)26;1-32(29,30)14-17-7-6-15(12-27-17)16-10-20-18(4-2-8-25-20)22(11-16)31-13-21-19(23(24)28)5-3-9-26-21;1-14(17-11-23(28)25-12-17)29-22-10-16(9-19-18(22)4-3-7-24-19)15-5-6-21-20(8-15)26-13-27(21)2;1-14(17-10-22(26)25-12-17)29-21-9-16(8-20-19(21)4-3-7-23-20)15-5-6-18(24-11-15)13-30(2,27)28/h2-12,14H,13H2,1H3,(H2,26,31);2-9,12,15H,10-11H2,1H3,(H,28,31)(H,29,30);2-12H,13-14H2,1H3,(H2,24,28);3-10,13-14,17H,11-12H2,1-2H3,(H,25,28);3-9,11,14,17H,10,12-13H2,1-2H3,(H,25,26)/t;12-,15-;;2*14-,17-/m.1.11/s1
• InChIKey: OFTYSTCJGQLAGP-NAUIIRILSA-N
• XLogP: 17.27
• TPSA: 485.31 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 29
• Rotatable Bonds: 26
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2138.35
LogP ≤ 5	17.27
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(1R)-1-[7-(1-methylbenzimidazol-5-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;2-[[7-(3-methyl-4-oxoquinazolin-7-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-[6-(methylsulfonylmethyl)-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one;2-[[7-[6-(methylsulfonylmethyl)-3-pyridinyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one?

The IUPAC name of (4R)-4-[(1R)-1-[7-(1-methylbenzimidazol-5-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;2-[[7-(3-methyl-4-oxoquinazolin-7-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-[6-(methylsulfonylmethyl)-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one;2-[[7-[6-(methylsulfonylmethyl)-3-pyridinyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one (CID 159981095) is (4R)-4-[(1R)-1-[7-(1-methylbenzimidazol-5-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;2-[[7-(3-methyl-4-oxoquinazolin-7-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-[6-(methylsulfonylmethyl)-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one;2-[[7-[6-(methylsulfonylmethyl)-3-pyridinyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one.

What is the SMILES notation for (4R)-4-[(1R)-1-[7-(1-methylbenzimidazol-5-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;2-[[7-(3-methyl-4-oxoquinazolin-7-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-[6-(methylsulfonylmethyl)-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one;2-[[7-[6-(methylsulfonylmethyl)-3-pyridinyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one?

The canonical SMILES for (4R)-4-[(1R)-1-[7-(1-methylbenzimidazol-5-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;2-[[7-(3-methyl-4-oxoquinazolin-7-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-[6-(methylsulfonylmethyl)-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one;2-[[7-[6-(methylsulfonylmethyl)-3-pyridinyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one is CS(=O)(=O)Cc1ccc(-c2cc(OCc3ncccc3C(N)=O)c3cccnc3c2)cn1.C[C@@H](Oc1cc(-c2ccc(CS(C)(=O)=O)nc2)cc2ncccc12)[C@H]1CNC(=O)C1.C[C@@H](Oc1cc(-c2ccc3c(c2)ncn3C)cc2ncccc12)[C@H]1CNC(=O)C1.C[C@@H](Oc1cc(-c2ccc3nc(C(F)(F)F)[nH]c3c2)cc2ncccc12)[C@H]1CNC(=O)C1.Cn1cnc2cc(-c3cc(OCc4ncccc4C(N)=O)c4cccnc4c3)ccc2c1=O.

What is the InChIKey of (4R)-4-[(1R)-1-[7-(1-methylbenzimidazol-5-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;2-[[7-(3-methyl-4-oxoquinazolin-7-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-[6-(methylsulfonylmethyl)-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one;2-[[7-[6-(methylsulfonylmethyl)-3-pyridinyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one?

The InChIKey is OFTYSTCJGQLAGP-NAUIIRILSA-N. The full InChI is InChI=1S/C25H19N5O3.C23H19F3N4O2.C23H20N4O4S.C23H22N4O2.C22H23N3O4S/c1-30-14-29-21-10-15(6-7-19(21)25(30)32)16-11-20-17(4-2-8-27-20)23(12-16)33-13-22-18(24(26)31)5-3-9-28-22;1-12(15-10-21(31)28-11-15)32-20-9-14(8-18-16(20)3-2-6-27-18)13-4-5-17-19(7-13)30-22(29-17)23(24,25)26;1-32(29,30)14-17-7-6-15(12-27-17)16-10-20-18(4-2-8-25-20)22(11-16)31-13-21-19(23(24)28)5-3-9-26-21;1-14(17-11-23(28)25-12-17)29-22-10-16(9-19-18(22)4-3-7-24-19)15-5-6-21-20(8-15)26-13-27(21)2;1-14(17-10-22(26)25-12-17)29-21-9-16(8-20-19(21)4-3-7-23-20)15-5-6-18(24-11-15)13-30(2,27)28/h2-12,14H,13H2,1H3,(H2,26,31);2-9,12,15H,10-11H2,1H3,(H,28,31)(H,29,30);2-12H,13-14H2,1H3,(H2,24,28);3-10,13-14,17H,11-12H2,1-2H3,(H,25,28);3-9,11,14,17H,10,12-13H2,1-2H3,(H,25,26)/t;12-,15-;;2*14-,17-/m.1.11/s1.

What are the key properties of (4R)-4-[(1R)-1-[7-(1-methylbenzimidazol-5-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;2-[[7-(3-methyl-4-oxoquinazolin-7-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-[6-(methylsulfonylmethyl)-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one;2-[[7-[6-(methylsulfonylmethyl)-3-pyridinyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one?

(4R)-4-[(1R)-1-[7-(1-methylbenzimidazol-5-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;2-[[7-(3-methyl-4-oxoquinazolin-7-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-[6-(methylsulfonylmethyl)-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one;2-[[7-[6-(methylsulfonylmethyl)-3-pyridinyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one has a molecular weight of 2138.35 g/mol, XLogP of 17.27, 26 rotatable bonds, 6 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-4-[(1R)-1-[7-(1-methylbenzimidazol-5-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;2-[[7-(3-methyl-4-oxoquinazolin-7-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-[6-(methylsulfonylmethyl)-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one;2-[[7-[6-(methylsulfonylmethyl)-3-pyridinyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one is sourced from PubChem (CID 159981095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).