4-bromo-2-(7-methyl-1H-indol-3-yl)-1,3-thiazole;8-chloro-2-(5,7-difluoro-6-methyl-1H-indol-3-yl)quinoline;5-(1,1-difluoroethyl)-2-(5,6,7-trifluoro-1H-indol-3-yl)quinoline;2-(5,7-difluoro-6-methyl-1H-indol-3-yl)quinoline;2-(5-fluoro-6,7-dimethyl-1H-indol-3-yl)-N-methylquinoline-5-carboxamide;2-(6-methyl-1H-indol-3-yl)quinoline;7-methyl-2-(4,5,6-trifluoro-3H-inden-1-yl)quinoline;7-methyl-2-(4,5,6-trifluoro-3H-inden-1-yl)quinoxaline

C143H98BrClF16N16OS — CID 158439768

About 4-bromo-2-(7-methyl-1H-indol-3-yl)-1,3-thiazole;8-chloro-2-(5,7-difluoro-6-methyl-1H-indol-3-yl)quinoline;5-(1,1-difluoroethyl)-2-(5,6,7-trifluoro-1H-indol-3-yl)quinoline;2-(5,7-difluoro-6-methyl-1H-indol-3-yl)quinoline;2-(5-fluoro-6,7-dimethyl-1H-indol-3-yl)-N-methylquinoline-5-carboxamide;2-(6-methyl-1H-indol-3-yl)quinoline;7-methyl-2-(4,5,6-trifluoro-3H-inden-1-yl)quinoline;7-methyl-2-(4,5,6-trifluoro-3H-inden-1-yl)quinoxaline

4-bromo-2-(7-methyl-1H-indol-3-yl)-1,3-thiazole;8-chloro-2-(5,7-difluoro-6-methyl-1H-indol-3-yl)quinoline;5-(1,1-difluoroethyl)-2-(5,6,7-trifluoro-1H-indol-3-yl)quinoline;2-(5,7-difluoro-6-methyl-1H-indol-3-yl)quinoline;2-(5-fluoro-6,7-dimethyl-1H-indol-3-yl)-N-methylquinoline-5-carboxamide;2-(6-methyl-1H-indol-3-yl)quinoline;7-methyl-2-(4,5,6-trifluoro-3H-inden-1-yl)quinoline;7-methyl-2-(4,5,6-trifluoro-3H-inden-1-yl)quinoxaline (PubChem CID 158439768) has the molecular formula C143H98BrClF16N16OS and a molecular weight of 2507.86 g/mol. Its IUPAC name is 4-bromo-2-(7-methyl-1H-indol-3-yl)-1,3-thiazole;8-chloro-2-(5,7-difluoro-6-methyl-1H-indol-3-yl)quinoline;5-(1,1-difluoroethyl)-2-(5,6,7-trifluoro-1H-indol-3-yl)quinoline;2-(5,7-difluoro-6-methyl-1H-indol-3-yl)quinoline;2-(5-fluoro-6,7-dimethyl-1H-indol-3-yl)-N-methylquinoline-5-carboxamide;2-(6-methyl-1H-indol-3-yl)quinoline;7-methyl-2-(4,5,6-trifluoro-3H-inden-1-yl)quinoline;7-methyl-2-(4,5,6-trifluoro-3H-inden-1-yl)quinoxaline.

Molecular Properties

• Compound Name: 4-bromo-2-(7-methyl-1H-indol-3-yl)-1,3-thiazole;8-chloro-2-(5,7-difluoro-6-methyl-1H-indol-3-yl)quinoline;5-(1,1-difluoroethyl)-2-(5,6,7-trifluoro-1H-indol-3-yl)quinoline;2-(5,7-difluoro-6-methyl-1H-indol-3-yl)quinoline;2-(5-fluoro-6,7-dimethyl-1H-indol-3-yl)-N-methylquinoline-5-carboxamide;2-(6-methyl-1H-indol-3-yl)quinoline;7-methyl-2-(4,5,6-trifluoro-3H-inden-1-yl)quinoline;7-methyl-2-(4,5,6-trifluoro-3H-inden-1-yl)quinoxaline
• PubChem CID: 158439768
• Molecular Formula: C143H98BrClF16N16OS
• Molecular Weight: 2507.86 g/mol
• Exact Mass: 2504.64
• IUPAC Name: 4-bromo-2-(7-methyl-1H-indol-3-yl)-1,3-thiazole;8-chloro-2-(5,7-difluoro-6-methyl-1H-indol-3-yl)quinoline;5-(1,1-difluoroethyl)-2-(5,6,7-trifluoro-1H-indol-3-yl)quinoline;2-(5,7-difluoro-6-methyl-1H-indol-3-yl)quinoline;2-(5-fluoro-6,7-dimethyl-1H-indol-3-yl)-N-methylquinoline-5-carboxamide;2-(6-methyl-1H-indol-3-yl)quinoline;7-methyl-2-(4,5,6-trifluoro-3H-inden-1-yl)quinoline;7-methyl-2-(4,5,6-trifluoro-3H-inden-1-yl)quinoxaline
• SMILES: CC(F)(F)c1cccc2nc(-c3c[nH]c4c(F)c(F)c(F)cc34)ccc12.CNC(=O)c1cccc2nc(-c3c[nH]c4c(C)c(C)c(F)cc34)ccc12.Cc1c(F)cc2c(-c3ccc4cccc(Cl)c4n3)c[nH]c2c1F.Cc1c(F)cc2c(-c3ccc4ccccc4n3)c[nH]c2c1F.Cc1ccc2c(-c3ccc4ccccc4n3)c[nH]c2c1.Cc1ccc2ccc(C3=CCc4c3cc(F)c(F)c4F)nc2c1.Cc1ccc2ncc(C3=CCc4c3cc(F)c(F)c4F)nc2c1.Cc1cccc2c(-c3nc(Br)cs3)c[nH]c12
• InChI: InChI=1S/C21H18FN3O.C19H11F5N2.C19H12F3N.C18H11ClF2N2.C18H11F3N2.C18H12F2N2.C18H14N2.C12H9BrN2S/c1-11-12(2)20-15(9-17(11)22)16(10-24-20)19-8-7-13-14(21(26)23-3)5-4-6-18(13)25-19;1-19(23,24)12-3-2-4-14-9(12)5-6-15(26-14)11-8-25-18-10(11)7-13(20)16(21)17(18)22;1-10-2-3-11-4-7-16(23-17(11)8-10)12-5-6-13-14(12)9-15(20)19(22)18(13)21;1-9-14(20)7-11-12(8-22-18(11)16(9)21)15-6-5-10-3-2-4-13(19)17(10)23-15;1-9-2-5-14-15(6-9)23-16(8-22-14)10-3-4-11-12(10)7-13(19)18(21)17(11)20;1-10-14(19)8-12-13(9-21-18(12)17(10)20)16-7-6-11-4-2-3-5-15(11)22-16;1-12-6-8-14-15(11-19-18(14)10-12)17-9-7-13-4-2-3-5-16(13)20-17;1-7-3-2-4-8-9(5-14-11(7)8)12-15-10(13)6-16-12/h4-10,24H,1-3H3,(H,23,26);2-8,25H,1H3;2-5,7-9H,6H2,1H3;2-8,22H,1H3;2-3,5-8H,4H2,1H3;2-9,21H,1H3;2-11,19H,1H3;2-6,14H,1H3
• InChIKey: HCRBKYSELTVCNM-UHFFFAOYSA-N
• XLogP: 39.35
• TPSA: 239.85 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 179
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2507.86
LogP ≤ 5	39.35
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(7-methyl-1H-indol-3-yl)-1,3-thiazole;8-chloro-2-(5,7-difluoro-6-methyl-1H-indol-3-yl)quinoline;5-(1,1-difluoroethyl)-2-(5,6,7-trifluoro-1H-indol-3-yl)quinoline;2-(5,7-difluoro-6-methyl-1H-indol-3-yl)quinoline;2-(5-fluoro-6,7-dimethyl-1H-indol-3-yl)-N-methylquinoline-5-carboxamide;2-(6-methyl-1H-indol-3-yl)quinoline;7-methyl-2-(4,5,6-trifluoro-3H-inden-1-yl)quinoline;7-methyl-2-(4,5,6-trifluoro-3H-inden-1-yl)quinoxaline?

The IUPAC name of 4-bromo-2-(7-methyl-1H-indol-3-yl)-1,3-thiazole;8-chloro-2-(5,7-difluoro-6-methyl-1H-indol-3-yl)quinoline;5-(1,1-difluoroethyl)-2-(5,6,7-trifluoro-1H-indol-3-yl)quinoline;2-(5,7-difluoro-6-methyl-1H-indol-3-yl)quinoline;2-(5-fluoro-6,7-dimethyl-1H-indol-3-yl)-N-methylquinoline-5-carboxamide;2-(6-methyl-1H-indol-3-yl)quinoline;7-methyl-2-(4,5,6-trifluoro-3H-inden-1-yl)quinoline;7-methyl-2-(4,5,6-trifluoro-3H-inden-1-yl)quinoxaline (CID 158439768) is 4-bromo-2-(7-methyl-1H-indol-3-yl)-1,3-thiazole;8-chloro-2-(5,7-difluoro-6-methyl-1H-indol-3-yl)quinoline;5-(1,1-difluoroethyl)-2-(5,6,7-trifluoro-1H-indol-3-yl)quinoline;2-(5,7-difluoro-6-methyl-1H-indol-3-yl)quinoline;2-(5-fluoro-6,7-dimethyl-1H-indol-3-yl)-N-methylquinoline-5-carboxamide;2-(6-methyl-1H-indol-3-yl)quinoline;7-methyl-2-(4,5,6-trifluoro-3H-inden-1-yl)quinoline;7-methyl-2-(4,5,6-trifluoro-3H-inden-1-yl)quinoxaline.

What is the SMILES notation for 4-bromo-2-(7-methyl-1H-indol-3-yl)-1,3-thiazole;8-chloro-2-(5,7-difluoro-6-methyl-1H-indol-3-yl)quinoline;5-(1,1-difluoroethyl)-2-(5,6,7-trifluoro-1H-indol-3-yl)quinoline;2-(5,7-difluoro-6-methyl-1H-indol-3-yl)quinoline;2-(5-fluoro-6,7-dimethyl-1H-indol-3-yl)-N-methylquinoline-5-carboxamide;2-(6-methyl-1H-indol-3-yl)quinoline;7-methyl-2-(4,5,6-trifluoro-3H-inden-1-yl)quinoline;7-methyl-2-(4,5,6-trifluoro-3H-inden-1-yl)quinoxaline?

The canonical SMILES for 4-bromo-2-(7-methyl-1H-indol-3-yl)-1,3-thiazole;8-chloro-2-(5,7-difluoro-6-methyl-1H-indol-3-yl)quinoline;5-(1,1-difluoroethyl)-2-(5,6,7-trifluoro-1H-indol-3-yl)quinoline;2-(5,7-difluoro-6-methyl-1H-indol-3-yl)quinoline;2-(5-fluoro-6,7-dimethyl-1H-indol-3-yl)-N-methylquinoline-5-carboxamide;2-(6-methyl-1H-indol-3-yl)quinoline;7-methyl-2-(4,5,6-trifluoro-3H-inden-1-yl)quinoline;7-methyl-2-(4,5,6-trifluoro-3H-inden-1-yl)quinoxaline is CC(F)(F)c1cccc2nc(-c3c[nH]c4c(F)c(F)c(F)cc34)ccc12.CNC(=O)c1cccc2nc(-c3c[nH]c4c(C)c(C)c(F)cc34)ccc12.Cc1c(F)cc2c(-c3ccc4cccc(Cl)c4n3)c[nH]c2c1F.Cc1c(F)cc2c(-c3ccc4ccccc4n3)c[nH]c2c1F.Cc1ccc2c(-c3ccc4ccccc4n3)c[nH]c2c1.Cc1ccc2ccc(C3=CCc4c3cc(F)c(F)c4F)nc2c1.Cc1ccc2ncc(C3=CCc4c3cc(F)c(F)c4F)nc2c1.Cc1cccc2c(-c3nc(Br)cs3)c[nH]c12.

What is the InChIKey of 4-bromo-2-(7-methyl-1H-indol-3-yl)-1,3-thiazole;8-chloro-2-(5,7-difluoro-6-methyl-1H-indol-3-yl)quinoline;5-(1,1-difluoroethyl)-2-(5,6,7-trifluoro-1H-indol-3-yl)quinoline;2-(5,7-difluoro-6-methyl-1H-indol-3-yl)quinoline;2-(5-fluoro-6,7-dimethyl-1H-indol-3-yl)-N-methylquinoline-5-carboxamide;2-(6-methyl-1H-indol-3-yl)quinoline;7-methyl-2-(4,5,6-trifluoro-3H-inden-1-yl)quinoline;7-methyl-2-(4,5,6-trifluoro-3H-inden-1-yl)quinoxaline?

The InChIKey is HCRBKYSELTVCNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O.C19H11F5N2.C19H12F3N.C18H11ClF2N2.C18H11F3N2.C18H12F2N2.C18H14N2.C12H9BrN2S/c1-11-12(2)20-15(9-17(11)22)16(10-24-20)19-8-7-13-14(21(26)23-3)5-4-6-18(13)25-19;1-19(23,24)12-3-2-4-14-9(12)5-6-15(26-14)11-8-25-18-10(11)7-13(20)16(21)17(18)22;1-10-2-3-11-4-7-16(23-17(11)8-10)12-5-6-13-14(12)9-15(20)19(22)18(13)21;1-9-14(20)7-11-12(8-22-18(11)16(9)21)15-6-5-10-3-2-4-13(19)17(10)23-15;1-9-2-5-14-15(6-9)23-16(8-22-14)10-3-4-11-12(10)7-13(19)18(21)17(11)20;1-10-14(19)8-12-13(9-21-18(12)17(10)20)16-7-6-11-4-2-3-5-15(11)22-16;1-12-6-8-14-15(11-19-18(14)10-12)17-9-7-13-4-2-3-5-16(13)20-17;1-7-3-2-4-8-9(5-14-11(7)8)12-15-10(13)6-16-12/h4-10,24H,1-3H3,(H,23,26);2-8,25H,1H3;2-5,7-9H,6H2,1H3;2-8,22H,1H3;2-3,5-8H,4H2,1H3;2-9,21H,1H3;2-11,19H,1H3;2-6,14H,1H3.

What are the key properties of 4-bromo-2-(7-methyl-1H-indol-3-yl)-1,3-thiazole;8-chloro-2-(5,7-difluoro-6-methyl-1H-indol-3-yl)quinoline;5-(1,1-difluoroethyl)-2-(5,6,7-trifluoro-1H-indol-3-yl)quinoline;2-(5,7-difluoro-6-methyl-1H-indol-3-yl)quinoline;2-(5-fluoro-6,7-dimethyl-1H-indol-3-yl)-N-methylquinoline-5-carboxamide;2-(6-methyl-1H-indol-3-yl)quinoline;7-methyl-2-(4,5,6-trifluoro-3H-inden-1-yl)quinoline;7-methyl-2-(4,5,6-trifluoro-3H-inden-1-yl)quinoxaline?

4-bromo-2-(7-methyl-1H-indol-3-yl)-1,3-thiazole;8-chloro-2-(5,7-difluoro-6-methyl-1H-indol-3-yl)quinoline;5-(1,1-difluoroethyl)-2-(5,6,7-trifluoro-1H-indol-3-yl)quinoline;2-(5,7-difluoro-6-methyl-1H-indol-3-yl)quinoline;2-(5-fluoro-6,7-dimethyl-1H-indol-3-yl)-N-methylquinoline-5-carboxamide;2-(6-methyl-1H-indol-3-yl)quinoline;7-methyl-2-(4,5,6-trifluoro-3H-inden-1-yl)quinoline;7-methyl-2-(4,5,6-trifluoro-3H-inden-1-yl)quinoxaline has a molecular weight of 2507.86 g/mol, XLogP of 39.35, 10 rotatable bonds, 7 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 4-bromo-2-(7-methyl-1H-indol-3-yl)-1,3-thiazole;8-chloro-2-(5,7-difluoro-6-methyl-1H-indol-3-yl)quinoline;5-(1,1-difluoroethyl)-2-(5,6,7-trifluoro-1H-indol-3-yl)quinoline;2-(5,7-difluoro-6-methyl-1H-indol-3-yl)quinoline;2-(5-fluoro-6,7-dimethyl-1H-indol-3-yl)-N-methylquinoline-5-carboxamide;2-(6-methyl-1H-indol-3-yl)quinoline;7-methyl-2-(4,5,6-trifluoro-3H-inden-1-yl)quinoline;7-methyl-2-(4,5,6-trifluoro-3H-inden-1-yl)quinoxaline is sourced from PubChem (CID 158439768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).