2-[2-(1,1-difluoroethyl)phenyl]-N-pyrimidin-4-ylquinoline-8-carboxamide;ethyl 2-[[2-[3-(1,1-difluoroethyl)phenyl]quinoline-8-carbonyl]amino]-1,3-thiazole-4-carboxylate;N-[2-[2-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]quinolin-8-yl]-1,3-thiazole-4-carboxamide;N-[2-[3-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]quinolin-8-yl]-1,3-thiazole-4-carboxamide;N-[2-(3-methylphenyl)quinolin-8-yl]-1,3-thiazole-4-carboxamide;N-(2-phenylquinolin-8-yl)-1,3-thiazole-4-carboxamide;N-(2-pyridin-4-ylquinolin-8-yl)-1,3-thiazole-4-carboxamide

C145H109F4N23O11S8 — CID 157303271

About 2-[2-(1,1-difluoroethyl)phenyl]-N-pyrimidin-4-ylquinoline-8-carboxamide;ethyl 2-[[2-[3-(1,1-difluoroethyl)phenyl]quinoline-8-carbonyl]amino]-1,3-thiazole-4-carboxylate;N-[2-[2-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]quinolin-8-yl]-1,3-thiazole-4-carboxamide;N-[2-[3-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]quinolin-8-yl]-1,3-thiazole-4-carboxamide;N-[2-(3-methylphenyl)quinolin-8-yl]-1,3-thiazole-4-carboxamide;N-(2-phenylquinolin-8-yl)-1,3-thiazole-4-carboxamide;N-(2-pyridin-4-ylquinolin-8-yl)-1,3-thiazole-4-carboxamide

2-[2-(1,1-difluoroethyl)phenyl]-N-pyrimidin-4-ylquinoline-8-carboxamide;ethyl 2-[[2-[3-(1,1-difluoroethyl)phenyl]quinoline-8-carbonyl]amino]-1,3-thiazole-4-carboxylate;N-[2-[2-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]quinolin-8-yl]-1,3-thiazole-4-carboxamide;N-[2-[3-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]quinolin-8-yl]-1,3-thiazole-4-carboxamide;N-[2-(3-methylphenyl)quinolin-8-yl]-1,3-thiazole-4-carboxamide;N-(2-phenylquinolin-8-yl)-1,3-thiazole-4-carboxamide;N-(2-pyridin-4-ylquinolin-8-yl)-1,3-thiazole-4-carboxamide (PubChem CID 157303271) has the molecular formula C145H109F4N23O11S8 and a molecular weight of 2682.14 g/mol. Its IUPAC name is 2-[2-(1,1-difluoroethyl)phenyl]-N-pyrimidin-4-ylquinoline-8-carboxamide;ethyl 2-[[2-[3-(1,1-difluoroethyl)phenyl]quinoline-8-carbonyl]amino]-1,3-thiazole-4-carboxylate;N-[2-[2-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]quinolin-8-yl]-1,3-thiazole-4-carboxamide;N-[2-[3-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]quinolin-8-yl]-1,3-thiazole-4-carboxamide;N-[2-(3-methylphenyl)quinolin-8-yl]-1,3-thiazole-4-carboxamide;N-(2-phenylquinolin-8-yl)-1,3-thiazole-4-carboxamide;N-(2-pyridin-4-ylquinolin-8-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: 2-[2-(1,1-difluoroethyl)phenyl]-N-pyrimidin-4-ylquinoline-8-carboxamide;ethyl 2-[[2-[3-(1,1-difluoroethyl)phenyl]quinoline-8-carbonyl]amino]-1,3-thiazole-4-carboxylate;N-[2-[2-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]quinolin-8-yl]-1,3-thiazole-4-carboxamide;N-[2-[3-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]quinolin-8-yl]-1,3-thiazole-4-carboxamide;N-[2-(3-methylphenyl)quinolin-8-yl]-1,3-thiazole-4-carboxamide;N-(2-phenylquinolin-8-yl)-1,3-thiazole-4-carboxamide;N-(2-pyridin-4-ylquinolin-8-yl)-1,3-thiazole-4-carboxamide
• PubChem CID: 157303271
• Molecular Formula: C145H109F4N23O11S8
• Molecular Weight: 2682.14 g/mol
• Exact Mass: 2679.64
• IUPAC Name: 2-[2-(1,1-difluoroethyl)phenyl]-N-pyrimidin-4-ylquinoline-8-carboxamide;ethyl 2-[[2-[3-(1,1-difluoroethyl)phenyl]quinoline-8-carbonyl]amino]-1,3-thiazole-4-carboxylate;N-[2-[2-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]quinolin-8-yl]-1,3-thiazole-4-carboxamide;N-[2-[3-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]quinolin-8-yl]-1,3-thiazole-4-carboxamide;N-[2-(3-methylphenyl)quinolin-8-yl]-1,3-thiazole-4-carboxamide;N-(2-phenylquinolin-8-yl)-1,3-thiazole-4-carboxamide;N-(2-pyridin-4-ylquinolin-8-yl)-1,3-thiazole-4-carboxamide
• SMILES: C=S(C)(=O)c1cccc(-c2ccc3cccc(NC(=O)c4cscn4)c3n2)c1.C=S(C)(=O)c1ccccc1-c1ccc2cccc(NC(=O)c3cscn3)c2n1.CC(F)(F)c1ccccc1-c1ccc2cccc(C(=O)Nc3ccncn3)c2n1.CCOC(=O)c1csc(NC(=O)c2cccc3ccc(-c4cccc(C(C)(F)F)c4)nc23)n1.Cc1cccc(-c2ccc3cccc(NC(=O)c4cscn4)c3n2)c1.O=C(Nc1cccc2ccc(-c3ccccc3)nc12)c1cscn1.O=C(Nc1cccc2ccc(-c3ccncc3)nc12)c1cscn1
• InChI: InChI=1S/C24H19F2N3O3S.C22H16F2N4O.2C21H17N3O2S2.C20H15N3OS.C19H13N3OS.C18H12N4OS/c1-3-32-22(31)19-13-33-23(28-19)29-21(30)17-9-5-6-14-10-11-18(27-20(14)17)15-7-4-8-16(12-15)24(2,25)26;1-22(23,24)17-8-3-2-6-15(17)18-10-9-14-5-4-7-16(20(14)27-18)21(29)28-19-11-12-25-13-26-19;1-28(2,26)16-7-3-6-15(11-16)17-10-9-14-5-4-8-18(20(14)23-17)24-21(25)19-12-27-13-22-19;1-28(2,26)19-9-4-3-7-15(19)16-11-10-14-6-5-8-17(20(14)23-16)24-21(25)18-12-27-13-22-18;1-13-4-2-6-15(10-13)16-9-8-14-5-3-7-17(19(14)22-16)23-20(24)18-11-25-12-21-18;23-19(17-11-24-12-20-17)22-16-8-4-7-14-9-10-15(21-18(14)16)13-5-2-1-3-6-13;23-18(16-10-24-11-20-16)22-15-3-1-2-13-4-5-14(21-17(13)15)12-6-8-19-9-7-12/h4-13H,3H2,1-2H3,(H,28,29,30);2-13H,1H3,(H,25,26,28,29);2*3-13H,1H2,2H3,(H,24,25);2-12H,1H3,(H,23,24);1-12H,(H,22,23);1-11H,(H,22,23)
• InChIKey: BCDOOEOFNFHRFK-UHFFFAOYSA-N
• XLogP: 33.12
• TPSA: 470.38 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 33
• Rotatable Bonds: 27
• Heavy Atoms: 191
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2682.14
LogP ≤ 5	33.12
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,1-difluoroethyl)phenyl]-N-pyrimidin-4-ylquinoline-8-carboxamide;ethyl 2-[[2-[3-(1,1-difluoroethyl)phenyl]quinoline-8-carbonyl]amino]-1,3-thiazole-4-carboxylate;N-[2-[2-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]quinolin-8-yl]-1,3-thiazole-4-carboxamide;N-[2-[3-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]quinolin-8-yl]-1,3-thiazole-4-carboxamide;N-[2-(3-methylphenyl)quinolin-8-yl]-1,3-thiazole-4-carboxamide;N-(2-phenylquinolin-8-yl)-1,3-thiazole-4-carboxamide;N-(2-pyridin-4-ylquinolin-8-yl)-1,3-thiazole-4-carboxamide?

The IUPAC name of 2-[2-(1,1-difluoroethyl)phenyl]-N-pyrimidin-4-ylquinoline-8-carboxamide;ethyl 2-[[2-[3-(1,1-difluoroethyl)phenyl]quinoline-8-carbonyl]amino]-1,3-thiazole-4-carboxylate;N-[2-[2-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]quinolin-8-yl]-1,3-thiazole-4-carboxamide;N-[2-[3-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]quinolin-8-yl]-1,3-thiazole-4-carboxamide;N-[2-(3-methylphenyl)quinolin-8-yl]-1,3-thiazole-4-carboxamide;N-(2-phenylquinolin-8-yl)-1,3-thiazole-4-carboxamide;N-(2-pyridin-4-ylquinolin-8-yl)-1,3-thiazole-4-carboxamide (CID 157303271) is 2-[2-(1,1-difluoroethyl)phenyl]-N-pyrimidin-4-ylquinoline-8-carboxamide;ethyl 2-[[2-[3-(1,1-difluoroethyl)phenyl]quinoline-8-carbonyl]amino]-1,3-thiazole-4-carboxylate;N-[2-[2-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]quinolin-8-yl]-1,3-thiazole-4-carboxamide;N-[2-[3-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]quinolin-8-yl]-1,3-thiazole-4-carboxamide;N-[2-(3-methylphenyl)quinolin-8-yl]-1,3-thiazole-4-carboxamide;N-(2-phenylquinolin-8-yl)-1,3-thiazole-4-carboxamide;N-(2-pyridin-4-ylquinolin-8-yl)-1,3-thiazole-4-carboxamide.

What is the SMILES notation for 2-[2-(1,1-difluoroethyl)phenyl]-N-pyrimidin-4-ylquinoline-8-carboxamide;ethyl 2-[[2-[3-(1,1-difluoroethyl)phenyl]quinoline-8-carbonyl]amino]-1,3-thiazole-4-carboxylate;N-[2-[2-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]quinolin-8-yl]-1,3-thiazole-4-carboxamide;N-[2-[3-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]quinolin-8-yl]-1,3-thiazole-4-carboxamide;N-[2-(3-methylphenyl)quinolin-8-yl]-1,3-thiazole-4-carboxamide;N-(2-phenylquinolin-8-yl)-1,3-thiazole-4-carboxamide;N-(2-pyridin-4-ylquinolin-8-yl)-1,3-thiazole-4-carboxamide?

The canonical SMILES for 2-[2-(1,1-difluoroethyl)phenyl]-N-pyrimidin-4-ylquinoline-8-carboxamide;ethyl 2-[[2-[3-(1,1-difluoroethyl)phenyl]quinoline-8-carbonyl]amino]-1,3-thiazole-4-carboxylate;N-[2-[2-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]quinolin-8-yl]-1,3-thiazole-4-carboxamide;N-[2-[3-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]quinolin-8-yl]-1,3-thiazole-4-carboxamide;N-[2-(3-methylphenyl)quinolin-8-yl]-1,3-thiazole-4-carboxamide;N-(2-phenylquinolin-8-yl)-1,3-thiazole-4-carboxamide;N-(2-pyridin-4-ylquinolin-8-yl)-1,3-thiazole-4-carboxamide is C=S(C)(=O)c1cccc(-c2ccc3cccc(NC(=O)c4cscn4)c3n2)c1.C=S(C)(=O)c1ccccc1-c1ccc2cccc(NC(=O)c3cscn3)c2n1.CC(F)(F)c1ccccc1-c1ccc2cccc(C(=O)Nc3ccncn3)c2n1.CCOC(=O)c1csc(NC(=O)c2cccc3ccc(-c4cccc(C(C)(F)F)c4)nc23)n1.Cc1cccc(-c2ccc3cccc(NC(=O)c4cscn4)c3n2)c1.O=C(Nc1cccc2ccc(-c3ccccc3)nc12)c1cscn1.O=C(Nc1cccc2ccc(-c3ccncc3)nc12)c1cscn1.

What is the InChIKey of 2-[2-(1,1-difluoroethyl)phenyl]-N-pyrimidin-4-ylquinoline-8-carboxamide;ethyl 2-[[2-[3-(1,1-difluoroethyl)phenyl]quinoline-8-carbonyl]amino]-1,3-thiazole-4-carboxylate;N-[2-[2-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]quinolin-8-yl]-1,3-thiazole-4-carboxamide;N-[2-[3-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]quinolin-8-yl]-1,3-thiazole-4-carboxamide;N-[2-(3-methylphenyl)quinolin-8-yl]-1,3-thiazole-4-carboxamide;N-(2-phenylquinolin-8-yl)-1,3-thiazole-4-carboxamide;N-(2-pyridin-4-ylquinolin-8-yl)-1,3-thiazole-4-carboxamide?

The InChIKey is BCDOOEOFNFHRFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F2N3O3S.C22H16F2N4O.2C21H17N3O2S2.C20H15N3OS.C19H13N3OS.C18H12N4OS/c1-3-32-22(31)19-13-33-23(28-19)29-21(30)17-9-5-6-14-10-11-18(27-20(14)17)15-7-4-8-16(12-15)24(2,25)26;1-22(23,24)17-8-3-2-6-15(17)18-10-9-14-5-4-7-16(20(14)27-18)21(29)28-19-11-12-25-13-26-19;1-28(2,26)16-7-3-6-15(11-16)17-10-9-14-5-4-8-18(20(14)23-17)24-21(25)19-12-27-13-22-19;1-28(2,26)19-9-4-3-7-15(19)16-11-10-14-6-5-8-17(20(14)23-16)24-21(25)18-12-27-13-22-18;1-13-4-2-6-15(10-13)16-9-8-14-5-3-7-17(19(14)22-16)23-20(24)18-11-25-12-21-18;23-19(17-11-24-12-20-17)22-16-8-4-7-14-9-10-15(21-18(14)16)13-5-2-1-3-6-13;23-18(16-10-24-11-20-16)22-15-3-1-2-13-4-5-14(21-17(13)15)12-6-8-19-9-7-12/h4-13H,3H2,1-2H3,(H,28,29,30);2-13H,1H3,(H,25,26,28,29);2*3-13H,1H2,2H3,(H,24,25);2-12H,1H3,(H,23,24);1-12H,(H,22,23);1-11H,(H,22,23).

What are the key properties of 2-[2-(1,1-difluoroethyl)phenyl]-N-pyrimidin-4-ylquinoline-8-carboxamide;ethyl 2-[[2-[3-(1,1-difluoroethyl)phenyl]quinoline-8-carbonyl]amino]-1,3-thiazole-4-carboxylate;N-[2-[2-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]quinolin-8-yl]-1,3-thiazole-4-carboxamide;N-[2-[3-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]quinolin-8-yl]-1,3-thiazole-4-carboxamide;N-[2-(3-methylphenyl)quinolin-8-yl]-1,3-thiazole-4-carboxamide;N-(2-phenylquinolin-8-yl)-1,3-thiazole-4-carboxamide;N-(2-pyridin-4-ylquinolin-8-yl)-1,3-thiazole-4-carboxamide?

2-[2-(1,1-difluoroethyl)phenyl]-N-pyrimidin-4-ylquinoline-8-carboxamide;ethyl 2-[[2-[3-(1,1-difluoroethyl)phenyl]quinoline-8-carbonyl]amino]-1,3-thiazole-4-carboxylate;N-[2-[2-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]quinolin-8-yl]-1,3-thiazole-4-carboxamide;N-[2-[3-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]quinolin-8-yl]-1,3-thiazole-4-carboxamide;N-[2-(3-methylphenyl)quinolin-8-yl]-1,3-thiazole-4-carboxamide;N-(2-phenylquinolin-8-yl)-1,3-thiazole-4-carboxamide;N-(2-pyridin-4-ylquinolin-8-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 2682.14 g/mol, XLogP of 33.12, 27 rotatable bonds, 7 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(1,1-difluoroethyl)phenyl]-N-pyrimidin-4-ylquinoline-8-carboxamide;ethyl 2-[[2-[3-(1,1-difluoroethyl)phenyl]quinoline-8-carbonyl]amino]-1,3-thiazole-4-carboxylate;N-[2-[2-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]quinolin-8-yl]-1,3-thiazole-4-carboxamide;N-[2-[3-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]quinolin-8-yl]-1,3-thiazole-4-carboxamide;N-[2-(3-methylphenyl)quinolin-8-yl]-1,3-thiazole-4-carboxamide;N-(2-phenylquinolin-8-yl)-1,3-thiazole-4-carboxamide;N-(2-pyridin-4-ylquinolin-8-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 157303271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).