8-chloro-2-(4,6-difluoro-5-methyl-3H-inden-1-yl)-N-methylquinoline-5-carboxamide;5-chloro-2-(4,5,7-trifluoro-1H-indol-3-yl)quinoline;2-(4,6-difluoro-5-methyl-3H-inden-1-yl)-N-methylquinoline-5-carboxamide;8-fluoro-2-(4,5,7-trifluoro-1H-indol-3-yl)quinoline;2-(7-methyl-1H-indol-3-yl)-1,3-benzothiazole;5-(7-methyl-1H-indol-3-yl)-1,3-benzoxazole;6-methyl-2-(4,5,6-trifluoro-3H-inden-1-yl)quinoline

C127H83Cl2F14N13O3S — CID 162082881

About 8-chloro-2-(4,6-difluoro-5-methyl-3H-inden-1-yl)-N-methylquinoline-5-carboxamide;5-chloro-2-(4,5,7-trifluoro-1H-indol-3-yl)quinoline;2-(4,6-difluoro-5-methyl-3H-inden-1-yl)-N-methylquinoline-5-carboxamide;8-fluoro-2-(4,5,7-trifluoro-1H-indol-3-yl)quinoline;2-(7-methyl-1H-indol-3-yl)-1,3-benzothiazole;5-(7-methyl-1H-indol-3-yl)-1,3-benzoxazole;6-methyl-2-(4,5,6-trifluoro-3H-inden-1-yl)quinoline

8-chloro-2-(4,6-difluoro-5-methyl-3H-inden-1-yl)-N-methylquinoline-5-carboxamide;5-chloro-2-(4,5,7-trifluoro-1H-indol-3-yl)quinoline;2-(4,6-difluoro-5-methyl-3H-inden-1-yl)-N-methylquinoline-5-carboxamide;8-fluoro-2-(4,5,7-trifluoro-1H-indol-3-yl)quinoline;2-(7-methyl-1H-indol-3-yl)-1,3-benzothiazole;5-(7-methyl-1H-indol-3-yl)-1,3-benzoxazole;6-methyl-2-(4,5,6-trifluoro-3H-inden-1-yl)quinoline (PubChem CID 162082881) has the molecular formula C127H83Cl2F14N13O3S and a molecular weight of 2208.09 g/mol. Its IUPAC name is 8-chloro-2-(4,6-difluoro-5-methyl-3H-inden-1-yl)-N-methylquinoline-5-carboxamide;5-chloro-2-(4,5,7-trifluoro-1H-indol-3-yl)quinoline;2-(4,6-difluoro-5-methyl-3H-inden-1-yl)-N-methylquinoline-5-carboxamide;8-fluoro-2-(4,5,7-trifluoro-1H-indol-3-yl)quinoline;2-(7-methyl-1H-indol-3-yl)-1,3-benzothiazole;5-(7-methyl-1H-indol-3-yl)-1,3-benzoxazole;6-methyl-2-(4,5,6-trifluoro-3H-inden-1-yl)quinoline.

Molecular Properties

• Compound Name: 8-chloro-2-(4,6-difluoro-5-methyl-3H-inden-1-yl)-N-methylquinoline-5-carboxamide;5-chloro-2-(4,5,7-trifluoro-1H-indol-3-yl)quinoline;2-(4,6-difluoro-5-methyl-3H-inden-1-yl)-N-methylquinoline-5-carboxamide;8-fluoro-2-(4,5,7-trifluoro-1H-indol-3-yl)quinoline;2-(7-methyl-1H-indol-3-yl)-1,3-benzothiazole;5-(7-methyl-1H-indol-3-yl)-1,3-benzoxazole;6-methyl-2-(4,5,6-trifluoro-3H-inden-1-yl)quinoline
• PubChem CID: 162082881
• Molecular Formula: C127H83Cl2F14N13O3S
• Molecular Weight: 2208.09 g/mol
• Exact Mass: 2205.56
• IUPAC Name: 8-chloro-2-(4,6-difluoro-5-methyl-3H-inden-1-yl)-N-methylquinoline-5-carboxamide;5-chloro-2-(4,5,7-trifluoro-1H-indol-3-yl)quinoline;2-(4,6-difluoro-5-methyl-3H-inden-1-yl)-N-methylquinoline-5-carboxamide;8-fluoro-2-(4,5,7-trifluoro-1H-indol-3-yl)quinoline;2-(7-methyl-1H-indol-3-yl)-1,3-benzothiazole;5-(7-methyl-1H-indol-3-yl)-1,3-benzoxazole;6-methyl-2-(4,5,6-trifluoro-3H-inden-1-yl)quinoline
• SMILES: CNC(=O)c1ccc(Cl)c2nc(C3=CCc4c3cc(F)c(C)c4F)ccc12.CNC(=O)c1cccc2nc(C3=CCc4c3cc(F)c(C)c4F)ccc12.Cc1ccc2nc(C3=CCc4c3cc(F)c(F)c4F)ccc2c1.Cc1cccc2c(-c3ccc4ocnc4c3)c[nH]c12.Cc1cccc2c(-c3nc4ccccc4s3)c[nH]c12.Fc1cc(F)c2[nH]cc(-c3ccc4c(Cl)cccc4n3)c2c1F.Fc1cc(F)c2[nH]cc(-c3ccc4cccc(F)c4n3)c2c1F
• InChI: InChI=1S/C21H15ClF2N2O.C21H16F2N2O.C19H12F3N.C17H8ClF3N2.C17H8F4N2.C16H12N2O.C16H12N2S/c1-10-17(23)9-15-11(3-4-12(15)19(10)24)18-8-6-13-14(21(27)25-2)5-7-16(22)20(13)26-18;1-11-17(22)10-16-13(6-7-14(16)20(11)23)19-9-8-12-15(21(26)24-2)4-3-5-18(12)25-19;1-10-2-6-16-11(8-10)3-7-17(23-16)12-4-5-13-14(12)9-15(20)19(22)18(13)21;18-10-2-1-3-13-8(10)4-5-14(23-13)9-7-22-17-12(20)6-11(19)16(21)15(9)17;18-10-3-1-2-8-4-5-13(23-16(8)10)9-7-22-17-12(20)6-11(19)15(21)14(9)17;1-10-3-2-4-12-13(8-17-16(10)12)11-5-6-15-14(7-11)18-9-19-15;1-10-5-4-6-11-12(9-17-15(10)11)16-18-13-7-2-3-8-14(13)19-16/h3,5-9H,4H2,1-2H3,(H,25,27);3-6,8-10H,7H2,1-2H3,(H,24,26);2-4,6-9H,5H2,1H3;2*1-7,22H;2*2-9,17H,1H3
• InChIKey: ZCOLULYCMIFJOY-UHFFFAOYSA-N
• XLogP: 33.37
• TPSA: 224.73 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2208.09
LogP ≤ 5	33.37
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 8-chloro-2-(4,6-difluoro-5-methyl-3H-inden-1-yl)-N-methylquinoline-5-carboxamide;5-chloro-2-(4,5,7-trifluoro-1H-indol-3-yl)quinoline;2-(4,6-difluoro-5-methyl-3H-inden-1-yl)-N-methylquinoline-5-carboxamide;8-fluoro-2-(4,5,7-trifluoro-1H-indol-3-yl)quinoline;2-(7-methyl-1H-indol-3-yl)-1,3-benzothiazole;5-(7-methyl-1H-indol-3-yl)-1,3-benzoxazole;6-methyl-2-(4,5,6-trifluoro-3H-inden-1-yl)quinoline (CID 162082881) is 8-chloro-2-(4,6-difluoro-5-methyl-3H-inden-1-yl)-N-methylquinoline-5-carboxamide;5-chloro-2-(4,5,7-trifluoro-1H-indol-3-yl)quinoline;2-(4,6-difluoro-5-methyl-3H-inden-1-yl)-N-methylquinoline-5-carboxamide;8-fluoro-2-(4,5,7-trifluoro-1H-indol-3-yl)quinoline;2-(7-methyl-1H-indol-3-yl)-1,3-benzothiazole;5-(7-methyl-1H-indol-3-yl)-1,3-benzoxazole;6-methyl-2-(4,5,6-trifluoro-3H-inden-1-yl)quinoline.

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

The canonical SMILES for 8-chloro-2-(4,6-difluoro-5-methyl-3H-inden-1-yl)-N-methylquinoline-5-carboxamide;5-chloro-2-(4,5,7-trifluoro-1H-indol-3-yl)quinoline;2-(4,6-difluoro-5-methyl-3H-inden-1-yl)-N-methylquinoline-5-carboxamide;8-fluoro-2-(4,5,7-trifluoro-1H-indol-3-yl)quinoline;2-(7-methyl-1H-indol-3-yl)-1,3-benzothiazole;5-(7-methyl-1H-indol-3-yl)-1,3-benzoxazole;6-methyl-2-(4,5,6-trifluoro-3H-inden-1-yl)quinoline is CNC(=O)c1ccc(Cl)c2nc(C3=CCc4c3cc(F)c(C)c4F)ccc12.CNC(=O)c1cccc2nc(C3=CCc4c3cc(F)c(C)c4F)ccc12.Cc1ccc2nc(C3=CCc4c3cc(F)c(F)c4F)ccc2c1.Cc1cccc2c(-c3ccc4ocnc4c3)c[nH]c12.Cc1cccc2c(-c3nc4ccccc4s3)c[nH]c12.Fc1cc(F)c2[nH]cc(-c3ccc4c(Cl)cccc4n3)c2c1F.Fc1cc(F)c2[nH]cc(-c3ccc4cccc(F)c4n3)c2c1F.

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

The InChIKey is ZCOLULYCMIFJOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClF2N2O.C21H16F2N2O.C19H12F3N.C17H8ClF3N2.C17H8F4N2.C16H12N2O.C16H12N2S/c1-10-17(23)9-15-11(3-4-12(15)19(10)24)18-8-6-13-14(21(27)25-2)5-7-16(22)20(13)26-18;1-11-17(22)10-16-13(6-7-14(16)20(11)23)19-9-8-12-15(21(26)24-2)4-3-5-18(12)25-19;1-10-2-6-16-11(8-10)3-7-17(23-16)12-4-5-13-14(12)9-15(20)19(22)18(13)21;18-10-2-1-3-13-8(10)4-5-14(23-13)9-7-22-17-12(20)6-11(19)16(21)15(9)17;18-10-3-1-2-8-4-5-13(23-16(8)10)9-7-22-17-12(20)6-11(19)15(21)14(9)17;1-10-3-2-4-12-13(8-17-16(10)12)11-5-6-15-14(7-11)18-9-19-15;1-10-5-4-6-11-12(9-17-15(10)11)16-18-13-7-2-3-8-14(13)19-16/h3,5-9H,4H2,1-2H3,(H,25,27);3-6,8-10H,7H2,1-2H3,(H,24,26);2-4,6-9H,5H2,1H3;2*1-7,22H;2*2-9,17H,1H3.

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

8-chloro-2-(4,6-difluoro-5-methyl-3H-inden-1-yl)-N-methylquinoline-5-carboxamide;5-chloro-2-(4,5,7-trifluoro-1H-indol-3-yl)quinoline;2-(4,6-difluoro-5-methyl-3H-inden-1-yl)-N-methylquinoline-5-carboxamide;8-fluoro-2-(4,5,7-trifluoro-1H-indol-3-yl)quinoline;2-(7-methyl-1H-indol-3-yl)-1,3-benzothiazole;5-(7-methyl-1H-indol-3-yl)-1,3-benzoxazole;6-methyl-2-(4,5,6-trifluoro-3H-inden-1-yl)quinoline has a molecular weight of 2208.09 g/mol, XLogP of 33.37, 9 rotatable bonds, 6 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 8-chloro-2-(4,6-difluoro-5-methyl-3H-inden-1-yl)-N-methylquinoline-5-carboxamide;5-chloro-2-(4,5,7-trifluoro-1H-indol-3-yl)quinoline;2-(4,6-difluoro-5-methyl-3H-inden-1-yl)-N-methylquinoline-5-carboxamide;8-fluoro-2-(4,5,7-trifluoro-1H-indol-3-yl)quinoline;2-(7-methyl-1H-indol-3-yl)-1,3-benzothiazole;5-(7-methyl-1H-indol-3-yl)-1,3-benzoxazole;6-methyl-2-(4,5,6-trifluoro-3H-inden-1-yl)quinoline is sourced from PubChem (CID 162082881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).