2-(5,6-difluoro-1H-indol-3-yl)-6-methylquinoline;2-(7-ethyl-1H-indol-3-yl)-4-methylquinoline;2-(4-fluoro-7-methyl-1H-indol-3-yl)quinoline;2-(1H-indol-3-yl)-4-methylquinoline;2-(1H-indol-3-yl)quinoline;2-(7-methyl-1H-indol-3-yl)quinoline;bis(3-(7-methyl-1H-indol-3-yl)quinoline)

C145H111F3N16 — CID 161263602

About 2-(5,6-difluoro-1H-indol-3-yl)-6-methylquinoline;2-(7-ethyl-1H-indol-3-yl)-4-methylquinoline;2-(4-fluoro-7-methyl-1H-indol-3-yl)quinoline;2-(1H-indol-3-yl)-4-methylquinoline;2-(1H-indol-3-yl)quinoline;2-(7-methyl-1H-indol-3-yl)quinoline;bis(3-(7-methyl-1H-indol-3-yl)quinoline)

2-(5,6-difluoro-1H-indol-3-yl)-6-methylquinoline;2-(7-ethyl-1H-indol-3-yl)-4-methylquinoline;2-(4-fluoro-7-methyl-1H-indol-3-yl)quinoline;2-(1H-indol-3-yl)-4-methylquinoline;2-(1H-indol-3-yl)quinoline;2-(7-methyl-1H-indol-3-yl)quinoline;bis(3-(7-methyl-1H-indol-3-yl)quinoline) (PubChem CID 161263602) has the molecular formula C145H111F3N16 and a molecular weight of 2134.59 g/mol. Its IUPAC name is 2-(5,6-difluoro-1H-indol-3-yl)-6-methylquinoline;2-(7-ethyl-1H-indol-3-yl)-4-methylquinoline;2-(4-fluoro-7-methyl-1H-indol-3-yl)quinoline;2-(1H-indol-3-yl)-4-methylquinoline;2-(1H-indol-3-yl)quinoline;2-(7-methyl-1H-indol-3-yl)quinoline;bis(3-(7-methyl-1H-indol-3-yl)quinoline).

Molecular Properties

• Compound Name: 2-(5,6-difluoro-1H-indol-3-yl)-6-methylquinoline;2-(7-ethyl-1H-indol-3-yl)-4-methylquinoline;2-(4-fluoro-7-methyl-1H-indol-3-yl)quinoline;2-(1H-indol-3-yl)-4-methylquinoline;2-(1H-indol-3-yl)quinoline;2-(7-methyl-1H-indol-3-yl)quinoline;bis(3-(7-methyl-1H-indol-3-yl)quinoline)
• PubChem CID: 161263602
• Molecular Formula: C145H111F3N16
• Molecular Weight: 2134.59 g/mol
• Exact Mass: 2132.91
• IUPAC Name: 2-(5,6-difluoro-1H-indol-3-yl)-6-methylquinoline;2-(7-ethyl-1H-indol-3-yl)-4-methylquinoline;2-(4-fluoro-7-methyl-1H-indol-3-yl)quinoline;2-(1H-indol-3-yl)-4-methylquinoline;2-(1H-indol-3-yl)quinoline;2-(7-methyl-1H-indol-3-yl)quinoline;bis(3-(7-methyl-1H-indol-3-yl)quinoline)
• SMILES: CCc1cccc2c(-c3cc(C)c4ccccc4n3)c[nH]c12.Cc1cc(-c2c[nH]c3ccccc23)nc2ccccc12.Cc1ccc(F)c2c(-c3ccc4ccccc4n3)c[nH]c12.Cc1ccc2nc(-c3c[nH]c4cc(F)c(F)cc34)ccc2c1.Cc1cccc2c(-c3ccc4ccccc4n3)c[nH]c12.Cc1cccc2c(-c3cnc4ccccc4c3)c[nH]c12.Cc1cccc2c(-c3cnc4ccccc4c3)c[nH]c12.c1ccc2nc(-c3c[nH]c4ccccc34)ccc2c1
• InChI: InChI=1S/C20H18N2.C18H12F2N2.C18H13FN2.4C18H14N2.C17H12N2/c1-3-14-7-6-9-16-17(12-21-20(14)16)19-11-13(2)15-8-4-5-10-18(15)22-19;1-10-2-4-16-11(6-10)3-5-17(22-16)13-9-21-18-8-15(20)14(19)7-12(13)18;1-11-6-8-14(19)17-13(10-20-18(11)17)16-9-7-12-4-2-3-5-15(12)21-16;1-12-10-18(20-17-9-5-2-6-13(12)17)15-11-19-16-8-4-3-7-14(15)16;2*1-12-5-4-7-15-16(11-20-18(12)15)14-9-13-6-2-3-8-17(13)19-10-14;1-12-5-4-7-14-15(11-19-18(12)14)17-10-9-13-6-2-3-8-16(13)20-17;1-3-7-15-12(5-1)9-10-17(19-15)14-11-18-16-8-4-2-6-13(14)16/h4-12,21H,3H2,1-2H3;2-9,21H,1H3;2-10,20H,1H3;2-11,19H,1H3;2*2-11,20H,1H3;2-11,19H,1H3;1-11,18H
• InChIKey: VCWOWJNKMADBQC-UHFFFAOYSA-N
• XLogP: 38.20
• TPSA: 229.44 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2134.59
LogP ≤ 5	38.20
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-difluoro-1H-indol-3-yl)-6-methylquinoline;2-(7-ethyl-1H-indol-3-yl)-4-methylquinoline;2-(4-fluoro-7-methyl-1H-indol-3-yl)quinoline;2-(1H-indol-3-yl)-4-methylquinoline;2-(1H-indol-3-yl)quinoline;2-(7-methyl-1H-indol-3-yl)quinoline;bis(3-(7-methyl-1H-indol-3-yl)quinoline)?

The IUPAC name of 2-(5,6-difluoro-1H-indol-3-yl)-6-methylquinoline;2-(7-ethyl-1H-indol-3-yl)-4-methylquinoline;2-(4-fluoro-7-methyl-1H-indol-3-yl)quinoline;2-(1H-indol-3-yl)-4-methylquinoline;2-(1H-indol-3-yl)quinoline;2-(7-methyl-1H-indol-3-yl)quinoline;bis(3-(7-methyl-1H-indol-3-yl)quinoline) (CID 161263602) is 2-(5,6-difluoro-1H-indol-3-yl)-6-methylquinoline;2-(7-ethyl-1H-indol-3-yl)-4-methylquinoline;2-(4-fluoro-7-methyl-1H-indol-3-yl)quinoline;2-(1H-indol-3-yl)-4-methylquinoline;2-(1H-indol-3-yl)quinoline;2-(7-methyl-1H-indol-3-yl)quinoline;bis(3-(7-methyl-1H-indol-3-yl)quinoline).

What is the SMILES notation for 2-(5,6-difluoro-1H-indol-3-yl)-6-methylquinoline;2-(7-ethyl-1H-indol-3-yl)-4-methylquinoline;2-(4-fluoro-7-methyl-1H-indol-3-yl)quinoline;2-(1H-indol-3-yl)-4-methylquinoline;2-(1H-indol-3-yl)quinoline;2-(7-methyl-1H-indol-3-yl)quinoline;bis(3-(7-methyl-1H-indol-3-yl)quinoline)?

The canonical SMILES for 2-(5,6-difluoro-1H-indol-3-yl)-6-methylquinoline;2-(7-ethyl-1H-indol-3-yl)-4-methylquinoline;2-(4-fluoro-7-methyl-1H-indol-3-yl)quinoline;2-(1H-indol-3-yl)-4-methylquinoline;2-(1H-indol-3-yl)quinoline;2-(7-methyl-1H-indol-3-yl)quinoline;bis(3-(7-methyl-1H-indol-3-yl)quinoline) is CCc1cccc2c(-c3cc(C)c4ccccc4n3)c[nH]c12.Cc1cc(-c2c[nH]c3ccccc23)nc2ccccc12.Cc1ccc(F)c2c(-c3ccc4ccccc4n3)c[nH]c12.Cc1ccc2nc(-c3c[nH]c4cc(F)c(F)cc34)ccc2c1.Cc1cccc2c(-c3ccc4ccccc4n3)c[nH]c12.Cc1cccc2c(-c3cnc4ccccc4c3)c[nH]c12.Cc1cccc2c(-c3cnc4ccccc4c3)c[nH]c12.c1ccc2nc(-c3c[nH]c4ccccc34)ccc2c1.

What is the InChIKey of 2-(5,6-difluoro-1H-indol-3-yl)-6-methylquinoline;2-(7-ethyl-1H-indol-3-yl)-4-methylquinoline;2-(4-fluoro-7-methyl-1H-indol-3-yl)quinoline;2-(1H-indol-3-yl)-4-methylquinoline;2-(1H-indol-3-yl)quinoline;2-(7-methyl-1H-indol-3-yl)quinoline;bis(3-(7-methyl-1H-indol-3-yl)quinoline)?

The InChIKey is VCWOWJNKMADBQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2.C18H12F2N2.C18H13FN2.4C18H14N2.C17H12N2/c1-3-14-7-6-9-16-17(12-21-20(14)16)19-11-13(2)15-8-4-5-10-18(15)22-19;1-10-2-4-16-11(6-10)3-5-17(22-16)13-9-21-18-8-15(20)14(19)7-12(13)18;1-11-6-8-14(19)17-13(10-20-18(11)17)16-9-7-12-4-2-3-5-15(12)21-16;1-12-10-18(20-17-9-5-2-6-13(12)17)15-11-19-16-8-4-3-7-14(15)16;2*1-12-5-4-7-15-16(11-20-18(12)15)14-9-13-6-2-3-8-17(13)19-10-14;1-12-5-4-7-14-15(11-19-18(12)14)17-10-9-13-6-2-3-8-16(13)20-17;1-3-7-15-12(5-1)9-10-17(19-15)14-11-18-16-8-4-2-6-13(14)16/h4-12,21H,3H2,1-2H3;2-9,21H,1H3;2-10,20H,1H3;2-11,19H,1H3;2*2-11,20H,1H3;2-11,19H,1H3;1-11,18H.

What are the key properties of 2-(5,6-difluoro-1H-indol-3-yl)-6-methylquinoline;2-(7-ethyl-1H-indol-3-yl)-4-methylquinoline;2-(4-fluoro-7-methyl-1H-indol-3-yl)quinoline;2-(1H-indol-3-yl)-4-methylquinoline;2-(1H-indol-3-yl)quinoline;2-(7-methyl-1H-indol-3-yl)quinoline;bis(3-(7-methyl-1H-indol-3-yl)quinoline)?

2-(5,6-difluoro-1H-indol-3-yl)-6-methylquinoline;2-(7-ethyl-1H-indol-3-yl)-4-methylquinoline;2-(4-fluoro-7-methyl-1H-indol-3-yl)quinoline;2-(1H-indol-3-yl)-4-methylquinoline;2-(1H-indol-3-yl)quinoline;2-(7-methyl-1H-indol-3-yl)quinoline;bis(3-(7-methyl-1H-indol-3-yl)quinoline) has a molecular weight of 2134.59 g/mol, XLogP of 38.20, 9 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(5,6-difluoro-1H-indol-3-yl)-6-methylquinoline;2-(7-ethyl-1H-indol-3-yl)-4-methylquinoline;2-(4-fluoro-7-methyl-1H-indol-3-yl)quinoline;2-(1H-indol-3-yl)-4-methylquinoline;2-(1H-indol-3-yl)quinoline;2-(7-methyl-1H-indol-3-yl)quinoline;bis(3-(7-methyl-1H-indol-3-yl)quinoline) is sourced from PubChem (CID 161263602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).