2-[[7-[4-(1,1-difluoroethylsulfonyl)phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;2-[[7-[3-fluoro-4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;2-[[7-(3-methyl-4-methylsulfonylphenyl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-(2-methylquinolin-6-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-(7-quinolin-2-ylquinolin-5-yl)oxyethyl]pyrrolidin-2-one

C121H104F3N15O15S3 — CID 158404714

About 2-[[7-[4-(1,1-difluoroethylsulfonyl)phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;2-[[7-[3-fluoro-4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;2-[[7-(3-methyl-4-methylsulfonylphenyl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-(2-methylquinolin-6-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-(7-quinolin-2-ylquinolin-5-yl)oxyethyl]pyrrolidin-2-one

2-[[7-[4-(1,1-difluoroethylsulfonyl)phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;2-[[7-[3-fluoro-4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;2-[[7-(3-methyl-4-methylsulfonylphenyl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-(2-methylquinolin-6-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-(7-quinolin-2-ylquinolin-5-yl)oxyethyl]pyrrolidin-2-one (PubChem CID 158404714) has the molecular formula C121H104F3N15O15S3 and a molecular weight of 2161.45 g/mol. Its IUPAC name is 2-[[7-[4-(1,1-difluoroethylsulfonyl)phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;2-[[7-[3-fluoro-4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;2-[[7-(3-methyl-4-methylsulfonylphenyl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-(2-methylquinolin-6-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-(7-quinolin-2-ylquinolin-5-yl)oxyethyl]pyrrolidin-2-one.

Molecular Properties

• Compound Name: 2-[[7-[4-(1,1-difluoroethylsulfonyl)phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;2-[[7-[3-fluoro-4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;2-[[7-(3-methyl-4-methylsulfonylphenyl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-(2-methylquinolin-6-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-(7-quinolin-2-ylquinolin-5-yl)oxyethyl]pyrrolidin-2-one
• PubChem CID: 158404714
• Molecular Formula: C121H104F3N15O15S3
• Molecular Weight: 2161.45 g/mol
• Exact Mass: 2159.70
• IUPAC Name: 2-[[7-[4-(1,1-difluoroethylsulfonyl)phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;2-[[7-[3-fluoro-4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;2-[[7-(3-methyl-4-methylsulfonylphenyl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-(2-methylquinolin-6-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-(7-quinolin-2-ylquinolin-5-yl)oxyethyl]pyrrolidin-2-one
• SMILES: C=S(C)(=O)c1ccc(-c2cc(OCc3ncccc3C(N)=O)c3cccnc3c2)cc1F.CC(F)(F)S(=O)(=O)c1ccc(-c2cc(OCc3ncccc3C(N)=O)c3cccnc3c2)cc1.C[C@@H](Oc1cc(-c2ccc3ccccc3n2)cc2ncccc12)[C@H]1CNC(=O)C1.Cc1cc(-c2cc(OCc3ncccc3C(N)=O)c3cccnc3c2)ccc1S(C)(=O)=O.Cc1ccc2cc(-c3cc(O[C@H](C)[C@H]4CNC(=O)C4)c4cccnc4c3)ccc2n1
• InChI: InChI=1S/C25H23N3O2.C24H19F2N3O4S.C24H20FN3O3S.C24H21N3O4S.C24H21N3O2/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;1-24(25,26)34(31,32)17-8-6-15(7-9-17)16-12-20-18(4-2-10-28-20)22(13-16)33-14-21-19(23(27)30)5-3-11-29-21;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;1-15-11-16(7-8-23(15)32(2,29)30)17-12-20-18(5-3-9-26-20)22(13-17)31-14-21-19(24(25)28)6-4-10-27-21;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/h3-12,16,20H,13-14H2,1-2H3,(H,27,29);2-13H,14H2,1H3,(H2,27,30);3-13H,1,14H2,2H3,(H2,26,29);3-13H,14H2,1-2H3,(H2,25,28);2-12,15,18H,13-14H2,1H3,(H,26,28)/t16-,20-;;;;15-,18-/m1...1/s1
• InChIKey: GYNNPZRAIJRZRA-OTYLILGPSA-N
• XLogP: 20.88
• TPSA: 447.87 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 25
• Rotatable Bonds: 27
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2161.45
LogP ≤ 5	20.88
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 2-[[7-[4-(1,1-difluoroethylsulfonyl)phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;2-[[7-[3-fluoro-4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;2-[[7-(3-methyl-4-methylsulfonylphenyl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-(2-methylquinolin-6-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-(7-quinolin-2-ylquinolin-5-yl)oxyethyl]pyrrolidin-2-one (CID 158404714) is 2-[[7-[4-(1,1-difluoroethylsulfonyl)phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;2-[[7-[3-fluoro-4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;2-[[7-(3-methyl-4-methylsulfonylphenyl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-(2-methylquinolin-6-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-(7-quinolin-2-ylquinolin-5-yl)oxyethyl]pyrrolidin-2-one.

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

The canonical SMILES for 2-[[7-[4-(1,1-difluoroethylsulfonyl)phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;2-[[7-[3-fluoro-4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;2-[[7-(3-methyl-4-methylsulfonylphenyl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-(2-methylquinolin-6-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-(7-quinolin-2-ylquinolin-5-yl)oxyethyl]pyrrolidin-2-one is C=S(C)(=O)c1ccc(-c2cc(OCc3ncccc3C(N)=O)c3cccnc3c2)cc1F.CC(F)(F)S(=O)(=O)c1ccc(-c2cc(OCc3ncccc3C(N)=O)c3cccnc3c2)cc1.C[C@@H](Oc1cc(-c2ccc3ccccc3n2)cc2ncccc12)[C@H]1CNC(=O)C1.Cc1cc(-c2cc(OCc3ncccc3C(N)=O)c3cccnc3c2)ccc1S(C)(=O)=O.Cc1ccc2cc(-c3cc(O[C@H](C)[C@H]4CNC(=O)C4)c4cccnc4c3)ccc2n1.

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

The InChIKey is GYNNPZRAIJRZRA-OTYLILGPSA-N. The full InChI is InChI=1S/C25H23N3O2.C24H19F2N3O4S.C24H20FN3O3S.C24H21N3O4S.C24H21N3O2/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;1-24(25,26)34(31,32)17-8-6-15(7-9-17)16-12-20-18(4-2-10-28-20)22(13-16)33-14-21-19(23(27)30)5-3-11-29-21;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;1-15-11-16(7-8-23(15)32(2,29)30)17-12-20-18(5-3-9-26-20)22(13-17)31-14-21-19(24(25)28)6-4-10-27-21;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/h3-12,16,20H,13-14H2,1-2H3,(H,27,29);2-13H,14H2,1H3,(H2,27,30);3-13H,1,14H2,2H3,(H2,26,29);3-13H,14H2,1-2H3,(H2,25,28);2-12,15,18H,13-14H2,1H3,(H,26,28)/t16-,20-;;;;15-,18-/m1...1/s1.

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

2-[[7-[4-(1,1-difluoroethylsulfonyl)phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;2-[[7-[3-fluoro-4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;2-[[7-(3-methyl-4-methylsulfonylphenyl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-(2-methylquinolin-6-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-(7-quinolin-2-ylquinolin-5-yl)oxyethyl]pyrrolidin-2-one has a molecular weight of 2161.45 g/mol, XLogP of 20.88, 27 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[7-[4-(1,1-difluoroethylsulfonyl)phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;2-[[7-[3-fluoro-4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;2-[[7-(3-methyl-4-methylsulfonylphenyl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-(2-methylquinolin-6-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-(7-quinolin-2-ylquinolin-5-yl)oxyethyl]pyrrolidin-2-one is sourced from PubChem (CID 158404714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).