8-bromo-2-(7-methyl-1H-indol-3-yl)quinoline;5-chloro-2-(4,5,7-trifluoro-1H-indol-3-yl)quinoline;2-(7-ethynyl-5-fluoro-1H-indol-3-yl)-7-fluoroquinoline;2-(6-methyl-1H-indol-3-yl)quinoline;3-(7-methyl-1H-indol-3-yl)quinoline;4-methyl-2-(7-methyl-1H-indol-3-yl)quinoline

C109H75BrClF5N12 — CID 159844055

About 8-bromo-2-(7-methyl-1H-indol-3-yl)quinoline;5-chloro-2-(4,5,7-trifluoro-1H-indol-3-yl)quinoline;2-(7-ethynyl-5-fluoro-1H-indol-3-yl)-7-fluoroquinoline;2-(6-methyl-1H-indol-3-yl)quinoline;3-(7-methyl-1H-indol-3-yl)quinoline;4-methyl-2-(7-methyl-1H-indol-3-yl)quinoline

8-bromo-2-(7-methyl-1H-indol-3-yl)quinoline;5-chloro-2-(4,5,7-trifluoro-1H-indol-3-yl)quinoline;2-(7-ethynyl-5-fluoro-1H-indol-3-yl)-7-fluoroquinoline;2-(6-methyl-1H-indol-3-yl)quinoline;3-(7-methyl-1H-indol-3-yl)quinoline;4-methyl-2-(7-methyl-1H-indol-3-yl)quinoline (PubChem CID 159844055) has the molecular formula C109H75BrClF5N12 and a molecular weight of 1763.23 g/mol. Its IUPAC name is 8-bromo-2-(7-methyl-1H-indol-3-yl)quinoline;5-chloro-2-(4,5,7-trifluoro-1H-indol-3-yl)quinoline;2-(7-ethynyl-5-fluoro-1H-indol-3-yl)-7-fluoroquinoline;2-(6-methyl-1H-indol-3-yl)quinoline;3-(7-methyl-1H-indol-3-yl)quinoline;4-methyl-2-(7-methyl-1H-indol-3-yl)quinoline.

Molecular Properties

• Compound Name: 8-bromo-2-(7-methyl-1H-indol-3-yl)quinoline;5-chloro-2-(4,5,7-trifluoro-1H-indol-3-yl)quinoline;2-(7-ethynyl-5-fluoro-1H-indol-3-yl)-7-fluoroquinoline;2-(6-methyl-1H-indol-3-yl)quinoline;3-(7-methyl-1H-indol-3-yl)quinoline;4-methyl-2-(7-methyl-1H-indol-3-yl)quinoline
• PubChem CID: 159844055
• Molecular Formula: C109H75BrClF5N12
• Molecular Weight: 1763.23 g/mol
• Exact Mass: 1760.50
• IUPAC Name: 8-bromo-2-(7-methyl-1H-indol-3-yl)quinoline;5-chloro-2-(4,5,7-trifluoro-1H-indol-3-yl)quinoline;2-(7-ethynyl-5-fluoro-1H-indol-3-yl)-7-fluoroquinoline;2-(6-methyl-1H-indol-3-yl)quinoline;3-(7-methyl-1H-indol-3-yl)quinoline;4-methyl-2-(7-methyl-1H-indol-3-yl)quinoline
• SMILES: C#Cc1cc(F)cc2c(-c3ccc4ccc(F)cc4n3)c[nH]c12.Cc1cc(-c2c[nH]c3c(C)cccc23)nc2ccccc12.Cc1ccc2c(-c3ccc4ccccc4n3)c[nH]c2c1.Cc1cccc2c(-c3ccc4cccc(Br)c4n3)c[nH]c12.Cc1cccc2c(-c3cnc4ccccc4c3)c[nH]c12.Fc1cc(F)c2[nH]cc(-c3ccc4c(Cl)cccc4n3)c2c1F
• InChI: InChI=1S/C19H10F2N2.C19H16N2.C18H13BrN2.2C18H14N2.C17H8ClF3N2/c1-2-11-7-14(21)8-15-16(10-22-19(11)15)17-6-4-12-3-5-13(20)9-18(12)23-17;1-12-6-5-8-15-16(11-20-19(12)15)18-10-13(2)14-7-3-4-9-17(14)21-18;1-11-4-2-6-13-14(10-20-17(11)13)16-9-8-12-5-3-7-15(19)18(12)21-16;1-12-5-4-7-15-16(11-20-18(12)15)14-9-13-6-2-3-8-17(13)19-10-14;1-12-6-8-14-15(11-19-18(14)10-12)17-9-7-13-4-2-3-5-16(13)20-17;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/h1,3-10,22H;3-11,20H,1-2H3;2-10,20H,1H3;2-11,20H,1H3;2-11,19H,1H3;1-7,22H
• InChIKey: NPBJBTHJMMZRKX-UHFFFAOYSA-N
• XLogP: 29.93
• TPSA: 172.08 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1763.23
LogP ≤ 5	29.93
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8-bromo-2-(7-methyl-1H-indol-3-yl)quinoline;5-chloro-2-(4,5,7-trifluoro-1H-indol-3-yl)quinoline;2-(7-ethynyl-5-fluoro-1H-indol-3-yl)-7-fluoroquinoline;2-(6-methyl-1H-indol-3-yl)quinoline;3-(7-methyl-1H-indol-3-yl)quinoline;4-methyl-2-(7-methyl-1H-indol-3-yl)quinoline?

The IUPAC name of 8-bromo-2-(7-methyl-1H-indol-3-yl)quinoline;5-chloro-2-(4,5,7-trifluoro-1H-indol-3-yl)quinoline;2-(7-ethynyl-5-fluoro-1H-indol-3-yl)-7-fluoroquinoline;2-(6-methyl-1H-indol-3-yl)quinoline;3-(7-methyl-1H-indol-3-yl)quinoline;4-methyl-2-(7-methyl-1H-indol-3-yl)quinoline (CID 159844055) is 8-bromo-2-(7-methyl-1H-indol-3-yl)quinoline;5-chloro-2-(4,5,7-trifluoro-1H-indol-3-yl)quinoline;2-(7-ethynyl-5-fluoro-1H-indol-3-yl)-7-fluoroquinoline;2-(6-methyl-1H-indol-3-yl)quinoline;3-(7-methyl-1H-indol-3-yl)quinoline;4-methyl-2-(7-methyl-1H-indol-3-yl)quinoline.

What is the SMILES notation for 8-bromo-2-(7-methyl-1H-indol-3-yl)quinoline;5-chloro-2-(4,5,7-trifluoro-1H-indol-3-yl)quinoline;2-(7-ethynyl-5-fluoro-1H-indol-3-yl)-7-fluoroquinoline;2-(6-methyl-1H-indol-3-yl)quinoline;3-(7-methyl-1H-indol-3-yl)quinoline;4-methyl-2-(7-methyl-1H-indol-3-yl)quinoline?

The canonical SMILES for 8-bromo-2-(7-methyl-1H-indol-3-yl)quinoline;5-chloro-2-(4,5,7-trifluoro-1H-indol-3-yl)quinoline;2-(7-ethynyl-5-fluoro-1H-indol-3-yl)-7-fluoroquinoline;2-(6-methyl-1H-indol-3-yl)quinoline;3-(7-methyl-1H-indol-3-yl)quinoline;4-methyl-2-(7-methyl-1H-indol-3-yl)quinoline is C#Cc1cc(F)cc2c(-c3ccc4ccc(F)cc4n3)c[nH]c12.Cc1cc(-c2c[nH]c3c(C)cccc23)nc2ccccc12.Cc1ccc2c(-c3ccc4ccccc4n3)c[nH]c2c1.Cc1cccc2c(-c3ccc4cccc(Br)c4n3)c[nH]c12.Cc1cccc2c(-c3cnc4ccccc4c3)c[nH]c12.Fc1cc(F)c2[nH]cc(-c3ccc4c(Cl)cccc4n3)c2c1F.

What is the InChIKey of 8-bromo-2-(7-methyl-1H-indol-3-yl)quinoline;5-chloro-2-(4,5,7-trifluoro-1H-indol-3-yl)quinoline;2-(7-ethynyl-5-fluoro-1H-indol-3-yl)-7-fluoroquinoline;2-(6-methyl-1H-indol-3-yl)quinoline;3-(7-methyl-1H-indol-3-yl)quinoline;4-methyl-2-(7-methyl-1H-indol-3-yl)quinoline?

The InChIKey is NPBJBTHJMMZRKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10F2N2.C19H16N2.C18H13BrN2.2C18H14N2.C17H8ClF3N2/c1-2-11-7-14(21)8-15-16(10-22-19(11)15)17-6-4-12-3-5-13(20)9-18(12)23-17;1-12-6-5-8-15-16(11-20-19(12)15)18-10-13(2)14-7-3-4-9-17(14)21-18;1-11-4-2-6-13-14(10-20-17(11)13)16-9-8-12-5-3-7-15(19)18(12)21-16;1-12-5-4-7-15-16(11-20-18(12)15)14-9-13-6-2-3-8-17(13)19-10-14;1-12-6-8-14-15(11-19-18(14)10-12)17-9-7-13-4-2-3-5-16(13)20-17;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/h1,3-10,22H;3-11,20H,1-2H3;2-10,20H,1H3;2-11,20H,1H3;2-11,19H,1H3;1-7,22H.

What are the key properties of 8-bromo-2-(7-methyl-1H-indol-3-yl)quinoline;5-chloro-2-(4,5,7-trifluoro-1H-indol-3-yl)quinoline;2-(7-ethynyl-5-fluoro-1H-indol-3-yl)-7-fluoroquinoline;2-(6-methyl-1H-indol-3-yl)quinoline;3-(7-methyl-1H-indol-3-yl)quinoline;4-methyl-2-(7-methyl-1H-indol-3-yl)quinoline?

8-bromo-2-(7-methyl-1H-indol-3-yl)quinoline;5-chloro-2-(4,5,7-trifluoro-1H-indol-3-yl)quinoline;2-(7-ethynyl-5-fluoro-1H-indol-3-yl)-7-fluoroquinoline;2-(6-methyl-1H-indol-3-yl)quinoline;3-(7-methyl-1H-indol-3-yl)quinoline;4-methyl-2-(7-methyl-1H-indol-3-yl)quinoline has a molecular weight of 1763.23 g/mol, XLogP of 29.93, 6 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 8-bromo-2-(7-methyl-1H-indol-3-yl)quinoline;5-chloro-2-(4,5,7-trifluoro-1H-indol-3-yl)quinoline;2-(7-ethynyl-5-fluoro-1H-indol-3-yl)-7-fluoroquinoline;2-(6-methyl-1H-indol-3-yl)quinoline;3-(7-methyl-1H-indol-3-yl)quinoline;4-methyl-2-(7-methyl-1H-indol-3-yl)quinoline is sourced from PubChem (CID 159844055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).