N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-[3-(1,1-difluoroethyl)phenyl]quinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-(4,6-dimethyl-2-pyridinyl)quinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)quinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-(4-methylpyrimidin-2-yl)quinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-(5-methyl-1,3-thiazol-2-yl)quinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-pyrimidin-2-ylquinoline-8-carboxamide

C139H113F12N21O6S3 — CID 158377843

About N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-[3-(1,1-difluoroethyl)phenyl]quinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-(4,6-dimethyl-2-pyridinyl)quinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)quinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-(4-methylpyrimidin-2-yl)quinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-(5-methyl-1,3-thiazol-2-yl)quinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-pyrimidin-2-ylquinoline-8-carboxamide

N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-[3-(1,1-difluoroethyl)phenyl]quinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-(4,6-dimethyl-2-pyridinyl)quinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)quinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-(4-methylpyrimidin-2-yl)quinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-(5-methyl-1,3-thiazol-2-yl)quinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-pyrimidin-2-ylquinoline-8-carboxamide (PubChem CID 158377843) has the molecular formula C139H113F12N21O6S3 and a molecular weight of 2497.75 g/mol. Its IUPAC name is N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-[3-(1,1-difluoroethyl)phenyl]quinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-(4,6-dimethyl-2-pyridinyl)quinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)quinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-(4-methylpyrimidin-2-yl)quinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-(5-methyl-1,3-thiazol-2-yl)quinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-pyrimidin-2-ylquinoline-8-carboxamide.

Molecular Properties

• Compound Name: N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-[3-(1,1-difluoroethyl)phenyl]quinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-(4,6-dimethyl-2-pyridinyl)quinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)quinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-(4-methylpyrimidin-2-yl)quinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-(5-methyl-1,3-thiazol-2-yl)quinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-pyrimidin-2-ylquinoline-8-carboxamide
• PubChem CID: 158377843
• Molecular Formula: C139H113F12N21O6S3
• Molecular Weight: 2497.75 g/mol
• Exact Mass: 2495.82
• IUPAC Name: N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-[3-(1,1-difluoroethyl)phenyl]quinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-(4,6-dimethyl-2-pyridinyl)quinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)quinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-(4-methylpyrimidin-2-yl)quinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-(5-methyl-1,3-thiazol-2-yl)quinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-pyrimidin-2-ylquinoline-8-carboxamide
• SMILES: CC(C)(C)c1nnc(NC(=O)c2cccc3ccc(-c4cccc(C(C)(F)F)c4)nc23)s1.CC(F)(F)c1cccc(-c2ccc3cccc(C(=O)Nc4ncccn4)c3n2)c1.Cc1cc(C)nc(NC(=O)c2cccc3ccc(-c4cccc(C(C)(F)F)c4)nc23)c1.Cc1ccnc(NC(=O)c2cccc3ccc(-c4cccc(C(C)(F)F)c4)nc23)n1.Cc1cnc(NC(=O)c2cccc3ccc(-c4cccc(C(C)(F)F)c4)nc23)s1.Cc1nc(NC(=O)c2cccc3ccc(-c4cccc(C(C)(F)F)c4)nc23)sc1C
• InChI: InChI=1S/C25H21F2N3O.C24H22F2N4OS.C23H18F2N4O.C23H19F2N3OS.C22H16F2N4O.C22H17F2N3OS/c1-15-12-16(2)28-22(13-15)30-24(31)20-9-5-6-17-10-11-21(29-23(17)20)18-7-4-8-19(14-18)25(3,26)27;1-23(2,3)21-29-30-22(32-21)28-20(31)17-10-6-7-14-11-12-18(27-19(14)17)15-8-5-9-16(13-15)24(4,25)26;1-14-11-12-26-22(27-14)29-21(30)18-8-4-5-15-9-10-19(28-20(15)18)16-6-3-7-17(13-16)23(2,24)25;1-13-14(2)30-22(26-13)28-21(29)18-9-5-6-15-10-11-19(27-20(15)18)16-7-4-8-17(12-16)23(3,24)25;1-22(23,24)16-7-2-6-15(13-16)18-10-9-14-5-3-8-17(19(14)27-18)20(29)28-21-25-11-4-12-26-21;1-13-12-25-21(29-13)27-20(28)17-8-4-5-14-9-10-18(26-19(14)17)15-6-3-7-16(11-15)22(2,23)24/h4-14H,1-3H3,(H,28,30,31);5-13H,1-4H3,(H,28,30,31);3-13H,1-2H3,(H,26,27,29,30);4-12H,1-3H3,(H,26,28,29);2-13H,1H3,(H,25,26,28,29);3-12H,1-2H3,(H,25,27,28)
• InChIKey: GVKNYTIEBJLWKW-UHFFFAOYSA-N
• XLogP: 35.48
• TPSA: 367.95 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 24
• Rotatable Bonds: 24
• Heavy Atoms: 181
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2497.75
LogP ≤ 5	35.48
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-[3-(1,1-difluoroethyl)phenyl]quinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-(4,6-dimethyl-2-pyridinyl)quinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)quinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-(4-methylpyrimidin-2-yl)quinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-(5-methyl-1,3-thiazol-2-yl)quinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-pyrimidin-2-ylquinoline-8-carboxamide?

The IUPAC name of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-[3-(1,1-difluoroethyl)phenyl]quinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-(4,6-dimethyl-2-pyridinyl)quinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)quinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-(4-methylpyrimidin-2-yl)quinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-(5-methyl-1,3-thiazol-2-yl)quinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-pyrimidin-2-ylquinoline-8-carboxamide (CID 158377843) is N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-[3-(1,1-difluoroethyl)phenyl]quinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-(4,6-dimethyl-2-pyridinyl)quinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)quinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-(4-methylpyrimidin-2-yl)quinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-(5-methyl-1,3-thiazol-2-yl)quinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-pyrimidin-2-ylquinoline-8-carboxamide.

What is the SMILES notation for N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-[3-(1,1-difluoroethyl)phenyl]quinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-(4,6-dimethyl-2-pyridinyl)quinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)quinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-(4-methylpyrimidin-2-yl)quinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-(5-methyl-1,3-thiazol-2-yl)quinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-pyrimidin-2-ylquinoline-8-carboxamide?

The canonical SMILES for N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-[3-(1,1-difluoroethyl)phenyl]quinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-(4,6-dimethyl-2-pyridinyl)quinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)quinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-(4-methylpyrimidin-2-yl)quinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-(5-methyl-1,3-thiazol-2-yl)quinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-pyrimidin-2-ylquinoline-8-carboxamide is CC(C)(C)c1nnc(NC(=O)c2cccc3ccc(-c4cccc(C(C)(F)F)c4)nc23)s1.CC(F)(F)c1cccc(-c2ccc3cccc(C(=O)Nc4ncccn4)c3n2)c1.Cc1cc(C)nc(NC(=O)c2cccc3ccc(-c4cccc(C(C)(F)F)c4)nc23)c1.Cc1ccnc(NC(=O)c2cccc3ccc(-c4cccc(C(C)(F)F)c4)nc23)n1.Cc1cnc(NC(=O)c2cccc3ccc(-c4cccc(C(C)(F)F)c4)nc23)s1.Cc1nc(NC(=O)c2cccc3ccc(-c4cccc(C(C)(F)F)c4)nc23)sc1C.

What is the InChIKey of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-[3-(1,1-difluoroethyl)phenyl]quinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-(4,6-dimethyl-2-pyridinyl)quinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)quinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-(4-methylpyrimidin-2-yl)quinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-(5-methyl-1,3-thiazol-2-yl)quinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-pyrimidin-2-ylquinoline-8-carboxamide?

The InChIKey is GVKNYTIEBJLWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F2N3O.C24H22F2N4OS.C23H18F2N4O.C23H19F2N3OS.C22H16F2N4O.C22H17F2N3OS/c1-15-12-16(2)28-22(13-15)30-24(31)20-9-5-6-17-10-11-21(29-23(17)20)18-7-4-8-19(14-18)25(3,26)27;1-23(2,3)21-29-30-22(32-21)28-20(31)17-10-6-7-14-11-12-18(27-19(14)17)15-8-5-9-16(13-15)24(4,25)26;1-14-11-12-26-22(27-14)29-21(30)18-8-4-5-15-9-10-19(28-20(15)18)16-6-3-7-17(13-16)23(2,24)25;1-13-14(2)30-22(26-13)28-21(29)18-9-5-6-15-10-11-19(27-20(15)18)16-7-4-8-17(12-16)23(3,24)25;1-22(23,24)16-7-2-6-15(13-16)18-10-9-14-5-3-8-17(19(14)27-18)20(29)28-21-25-11-4-12-26-21;1-13-12-25-21(29-13)27-20(28)17-8-4-5-14-9-10-18(26-19(14)17)15-6-3-7-16(11-15)22(2,23)24/h4-14H,1-3H3,(H,28,30,31);5-13H,1-4H3,(H,28,30,31);3-13H,1-2H3,(H,26,27,29,30);4-12H,1-3H3,(H,26,28,29);2-13H,1H3,(H,25,26,28,29);3-12H,1-2H3,(H,25,27,28).

What are the key properties of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-[3-(1,1-difluoroethyl)phenyl]quinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-(4,6-dimethyl-2-pyridinyl)quinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)quinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-(4-methylpyrimidin-2-yl)quinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-(5-methyl-1,3-thiazol-2-yl)quinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-pyrimidin-2-ylquinoline-8-carboxamide?

N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-[3-(1,1-difluoroethyl)phenyl]quinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-(4,6-dimethyl-2-pyridinyl)quinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)quinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-(4-methylpyrimidin-2-yl)quinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-(5-methyl-1,3-thiazol-2-yl)quinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-pyrimidin-2-ylquinoline-8-carboxamide has a molecular weight of 2497.75 g/mol, XLogP of 35.48, 24 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-[3-(1,1-difluoroethyl)phenyl]quinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-(4,6-dimethyl-2-pyridinyl)quinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)quinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-(4-methylpyrimidin-2-yl)quinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-(5-methyl-1,3-thiazol-2-yl)quinoline-8-carboxamide;2-[3-(1,1-difluoroethyl)phenyl]-N-pyrimidin-2-ylquinoline-8-carboxamide is sourced from PubChem (CID 158377843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).