2-ethyl-4-fluoro-8-methyl-3-(4-methylpiperazin-1-yl)-5-propan-2-yl-6H-indolo[2,3-b]quinolin-11-one;2-ethyl-4-fluoro-3-[4-(oxetan-3-yl)piperazin-1-yl]-11-oxo-5-propan-2-yl-6H-indolo[2,3-b]quinoline-8-carbonitrile;2-ethyl-4-fluoro-11-oxo-5-propan-2-yl-3-(4-propan-2-ylpiperazin-1-yl)-6H-indolo[2,3-b]quinoline-8-carbonitrile

C82H93F3N14O4 — CID 160801434

About 2-ethyl-4-fluoro-8-methyl-3-(4-methylpiperazin-1-yl)-5-propan-2-yl-6H-indolo[2,3-b]quinolin-11-one;2-ethyl-4-fluoro-3-[4-(oxetan-3-yl)piperazin-1-yl]-11-oxo-5-propan-2-yl-6H-indolo[2,3-b]quinoline-8-carbonitrile;2-ethyl-4-fluoro-11-oxo-5-propan-2-yl-3-(4-propan-2-ylpiperazin-1-yl)-6H-indolo[2,3-b]quinoline-8-carbonitrile

2-ethyl-4-fluoro-8-methyl-3-(4-methylpiperazin-1-yl)-5-propan-2-yl-6H-indolo[2,3-b]quinolin-11-one;2-ethyl-4-fluoro-3-[4-(oxetan-3-yl)piperazin-1-yl]-11-oxo-5-propan-2-yl-6H-indolo[2,3-b]quinoline-8-carbonitrile;2-ethyl-4-fluoro-11-oxo-5-propan-2-yl-3-(4-propan-2-ylpiperazin-1-yl)-6H-indolo[2,3-b]quinoline-8-carbonitrile (PubChem CID 160801434) has the molecular formula C82H93F3N14O4 and a molecular weight of 1395.73 g/mol. Its IUPAC name is 2-ethyl-4-fluoro-8-methyl-3-(4-methylpiperazin-1-yl)-5-propan-2-yl-6H-indolo[2,3-b]quinolin-11-one;2-ethyl-4-fluoro-3-[4-(oxetan-3-yl)piperazin-1-yl]-11-oxo-5-propan-2-yl-6H-indolo[2,3-b]quinoline-8-carbonitrile;2-ethyl-4-fluoro-11-oxo-5-propan-2-yl-3-(4-propan-2-ylpiperazin-1-yl)-6H-indolo[2,3-b]quinoline-8-carbonitrile.

Molecular Properties

• Compound Name: 2-ethyl-4-fluoro-8-methyl-3-(4-methylpiperazin-1-yl)-5-propan-2-yl-6H-indolo[2,3-b]quinolin-11-one;2-ethyl-4-fluoro-3-[4-(oxetan-3-yl)piperazin-1-yl]-11-oxo-5-propan-2-yl-6H-indolo[2,3-b]quinoline-8-carbonitrile;2-ethyl-4-fluoro-11-oxo-5-propan-2-yl-3-(4-propan-2-ylpiperazin-1-yl)-6H-indolo[2,3-b]quinoline-8-carbonitrile
• PubChem CID: 160801434
• Molecular Formula: C82H93F3N14O4
• Molecular Weight: 1395.73 g/mol
• Exact Mass: 1394.75
• IUPAC Name: 2-ethyl-4-fluoro-8-methyl-3-(4-methylpiperazin-1-yl)-5-propan-2-yl-6H-indolo[2,3-b]quinolin-11-one;2-ethyl-4-fluoro-3-[4-(oxetan-3-yl)piperazin-1-yl]-11-oxo-5-propan-2-yl-6H-indolo[2,3-b]quinoline-8-carbonitrile;2-ethyl-4-fluoro-11-oxo-5-propan-2-yl-3-(4-propan-2-ylpiperazin-1-yl)-6H-indolo[2,3-b]quinoline-8-carbonitrile
• SMILES: CCc1cc2c(=O)c3c4ccc(C#N)cc4[nH]c3n(C(C)C)c2c(F)c1N1CCN(C(C)C)CC1.CCc1cc2c(=O)c3c4ccc(C#N)cc4[nH]c3n(C(C)C)c2c(F)c1N1CCN(C2COC2)CC1.CCc1cc2c(=O)c3c4ccc(C)cc4[nH]c3n(C(C)C)c2c(F)c1N1CCN(C)CC1
• InChI: InChI=1S/C28H30FN5O2.C28H32FN5O.C26H31FN4O/c1-4-18-12-21-26(24(29)25(18)33-9-7-32(8-10-33)19-14-36-15-19)34(16(2)3)28-23(27(21)35)20-6-5-17(13-30)11-22(20)31-28;1-6-19-14-21-26(24(29)25(19)33-11-9-32(10-12-33)16(2)3)34(17(4)5)28-23(27(21)35)20-8-7-18(15-30)13-22(20)31-28;1-6-17-14-19-24(22(27)23(17)30-11-9-29(5)10-12-30)31(15(2)3)26-21(25(19)32)18-8-7-16(4)13-20(18)28-26/h5-6,11-12,16,19,31H,4,7-10,14-15H2,1-3H3;7-8,13-14,16-17,31H,6,9-12H2,1-5H3;7-8,13-15,28H,6,9-12H2,1-5H3
• InChIKey: SDCVAQZMNOKTOI-UHFFFAOYSA-N
• XLogP: 14.61
• TPSA: 189.62 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 15
• Rotatable Bonds: 11
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1395.73
LogP ≤ 5	14.61
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-fluoro-8-methyl-3-(4-methylpiperazin-1-yl)-5-propan-2-yl-6H-indolo[2,3-b]quinolin-11-one;2-ethyl-4-fluoro-3-[4-(oxetan-3-yl)piperazin-1-yl]-11-oxo-5-propan-2-yl-6H-indolo[2,3-b]quinoline-8-carbonitrile;2-ethyl-4-fluoro-11-oxo-5-propan-2-yl-3-(4-propan-2-ylpiperazin-1-yl)-6H-indolo[2,3-b]quinoline-8-carbonitrile?

The IUPAC name of 2-ethyl-4-fluoro-8-methyl-3-(4-methylpiperazin-1-yl)-5-propan-2-yl-6H-indolo[2,3-b]quinolin-11-one;2-ethyl-4-fluoro-3-[4-(oxetan-3-yl)piperazin-1-yl]-11-oxo-5-propan-2-yl-6H-indolo[2,3-b]quinoline-8-carbonitrile;2-ethyl-4-fluoro-11-oxo-5-propan-2-yl-3-(4-propan-2-ylpiperazin-1-yl)-6H-indolo[2,3-b]quinoline-8-carbonitrile (CID 160801434) is 2-ethyl-4-fluoro-8-methyl-3-(4-methylpiperazin-1-yl)-5-propan-2-yl-6H-indolo[2,3-b]quinolin-11-one;2-ethyl-4-fluoro-3-[4-(oxetan-3-yl)piperazin-1-yl]-11-oxo-5-propan-2-yl-6H-indolo[2,3-b]quinoline-8-carbonitrile;2-ethyl-4-fluoro-11-oxo-5-propan-2-yl-3-(4-propan-2-ylpiperazin-1-yl)-6H-indolo[2,3-b]quinoline-8-carbonitrile.

What is the SMILES notation for 2-ethyl-4-fluoro-8-methyl-3-(4-methylpiperazin-1-yl)-5-propan-2-yl-6H-indolo[2,3-b]quinolin-11-one;2-ethyl-4-fluoro-3-[4-(oxetan-3-yl)piperazin-1-yl]-11-oxo-5-propan-2-yl-6H-indolo[2,3-b]quinoline-8-carbonitrile;2-ethyl-4-fluoro-11-oxo-5-propan-2-yl-3-(4-propan-2-ylpiperazin-1-yl)-6H-indolo[2,3-b]quinoline-8-carbonitrile?

The canonical SMILES for 2-ethyl-4-fluoro-8-methyl-3-(4-methylpiperazin-1-yl)-5-propan-2-yl-6H-indolo[2,3-b]quinolin-11-one;2-ethyl-4-fluoro-3-[4-(oxetan-3-yl)piperazin-1-yl]-11-oxo-5-propan-2-yl-6H-indolo[2,3-b]quinoline-8-carbonitrile;2-ethyl-4-fluoro-11-oxo-5-propan-2-yl-3-(4-propan-2-ylpiperazin-1-yl)-6H-indolo[2,3-b]quinoline-8-carbonitrile is CCc1cc2c(=O)c3c4ccc(C#N)cc4[nH]c3n(C(C)C)c2c(F)c1N1CCN(C(C)C)CC1.CCc1cc2c(=O)c3c4ccc(C#N)cc4[nH]c3n(C(C)C)c2c(F)c1N1CCN(C2COC2)CC1.CCc1cc2c(=O)c3c4ccc(C)cc4[nH]c3n(C(C)C)c2c(F)c1N1CCN(C)CC1.

What is the InChIKey of 2-ethyl-4-fluoro-8-methyl-3-(4-methylpiperazin-1-yl)-5-propan-2-yl-6H-indolo[2,3-b]quinolin-11-one;2-ethyl-4-fluoro-3-[4-(oxetan-3-yl)piperazin-1-yl]-11-oxo-5-propan-2-yl-6H-indolo[2,3-b]quinoline-8-carbonitrile;2-ethyl-4-fluoro-11-oxo-5-propan-2-yl-3-(4-propan-2-ylpiperazin-1-yl)-6H-indolo[2,3-b]quinoline-8-carbonitrile?

The InChIKey is SDCVAQZMNOKTOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30FN5O2.C28H32FN5O.C26H31FN4O/c1-4-18-12-21-26(24(29)25(18)33-9-7-32(8-10-33)19-14-36-15-19)34(16(2)3)28-23(27(21)35)20-6-5-17(13-30)11-22(20)31-28;1-6-19-14-21-26(24(29)25(19)33-11-9-32(10-12-33)16(2)3)34(17(4)5)28-23(27(21)35)20-8-7-18(15-30)13-22(20)31-28;1-6-17-14-19-24(22(27)23(17)30-11-9-29(5)10-12-30)31(15(2)3)26-21(25(19)32)18-8-7-16(4)13-20(18)28-26/h5-6,11-12,16,19,31H,4,7-10,14-15H2,1-3H3;7-8,13-14,16-17,31H,6,9-12H2,1-5H3;7-8,13-15,28H,6,9-12H2,1-5H3.

What are the key properties of 2-ethyl-4-fluoro-8-methyl-3-(4-methylpiperazin-1-yl)-5-propan-2-yl-6H-indolo[2,3-b]quinolin-11-one;2-ethyl-4-fluoro-3-[4-(oxetan-3-yl)piperazin-1-yl]-11-oxo-5-propan-2-yl-6H-indolo[2,3-b]quinoline-8-carbonitrile;2-ethyl-4-fluoro-11-oxo-5-propan-2-yl-3-(4-propan-2-ylpiperazin-1-yl)-6H-indolo[2,3-b]quinoline-8-carbonitrile?

2-ethyl-4-fluoro-8-methyl-3-(4-methylpiperazin-1-yl)-5-propan-2-yl-6H-indolo[2,3-b]quinolin-11-one;2-ethyl-4-fluoro-3-[4-(oxetan-3-yl)piperazin-1-yl]-11-oxo-5-propan-2-yl-6H-indolo[2,3-b]quinoline-8-carbonitrile;2-ethyl-4-fluoro-11-oxo-5-propan-2-yl-3-(4-propan-2-ylpiperazin-1-yl)-6H-indolo[2,3-b]quinoline-8-carbonitrile has a molecular weight of 1395.73 g/mol, XLogP of 14.61, 11 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2-ethyl-4-fluoro-8-methyl-3-(4-methylpiperazin-1-yl)-5-propan-2-yl-6H-indolo[2,3-b]quinolin-11-one;2-ethyl-4-fluoro-3-[4-(oxetan-3-yl)piperazin-1-yl]-11-oxo-5-propan-2-yl-6H-indolo[2,3-b]quinoline-8-carbonitrile;2-ethyl-4-fluoro-11-oxo-5-propan-2-yl-3-(4-propan-2-ylpiperazin-1-yl)-6H-indolo[2,3-b]quinoline-8-carbonitrile is sourced from PubChem (CID 160801434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).