2-ethyl-4-fluoro-11-oxo-5-propan-2-yl-3-(1-propan-2-ylpiperidin-4-yl)-6H-indolo[2,3-b]quinoline-8-carbonitrile

C29H33FN4O — CID 118347618

About 2-ethyl-4-fluoro-11-oxo-5-propan-2-yl-3-(1-propan-2-ylpiperidin-4-yl)-6H-indolo[2,3-b]quinoline-8-carbonitrile

2-ethyl-4-fluoro-11-oxo-5-propan-2-yl-3-(1-propan-2-ylpiperidin-4-yl)-6H-indolo[2,3-b]quinoline-8-carbonitrile (PubChem CID 118347618) has the molecular formula C29H33FN4O and a molecular weight of 472.61 g/mol. Its IUPAC name is 2-ethyl-4-fluoro-11-oxo-5-propan-2-yl-3-(1-propan-2-ylpiperidin-4-yl)-6H-indolo[2,3-b]quinoline-8-carbonitrile.

Molecular Properties

• Compound Name: 2-ethyl-4-fluoro-11-oxo-5-propan-2-yl-3-(1-propan-2-ylpiperidin-4-yl)-6H-indolo[2,3-b]quinoline-8-carbonitrile
• PubChem CID: 118347618
• Molecular Formula: C29H33FN4O
• Molecular Weight: 472.61 g/mol
• Exact Mass: 472.26
• IUPAC Name: 2-ethyl-4-fluoro-11-oxo-5-propan-2-yl-3-(1-propan-2-ylpiperidin-4-yl)-6H-indolo[2,3-b]quinoline-8-carbonitrile
• SMILES: CCc1cc2c(=O)c3c4ccc(C#N)cc4[nH]c3n(C(C)C)c2c(F)c1C1CCN(C(C)C)CC1
• InChI: InChI=1S/C29H33FN4O/c1-6-19-14-22-27(26(30)24(19)20-9-11-33(12-10-20)16(2)3)34(17(4)5)29-25(28(22)35)21-8-7-18(15-31)13-23(21)32-29/h7-8,13-14,16-17,20,32H,6,9-12H2,1-5H3
• InChIKey: ITNRFZGFYAGBKL-UHFFFAOYSA-N
• XLogP: 6.38
• TPSA: 64.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	472.61
LogP ≤ 5	6.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-fluoro-11-oxo-5-propan-2-yl-3-(1-propan-2-ylpiperidin-4-yl)-6H-indolo[2,3-b]quinoline-8-carbonitrile?

The IUPAC name of 2-ethyl-4-fluoro-11-oxo-5-propan-2-yl-3-(1-propan-2-ylpiperidin-4-yl)-6H-indolo[2,3-b]quinoline-8-carbonitrile (CID 118347618) is 2-ethyl-4-fluoro-11-oxo-5-propan-2-yl-3-(1-propan-2-ylpiperidin-4-yl)-6H-indolo[2,3-b]quinoline-8-carbonitrile.

What is the SMILES notation for 2-ethyl-4-fluoro-11-oxo-5-propan-2-yl-3-(1-propan-2-ylpiperidin-4-yl)-6H-indolo[2,3-b]quinoline-8-carbonitrile?

The canonical SMILES for 2-ethyl-4-fluoro-11-oxo-5-propan-2-yl-3-(1-propan-2-ylpiperidin-4-yl)-6H-indolo[2,3-b]quinoline-8-carbonitrile is CCc1cc2c(=O)c3c4ccc(C#N)cc4[nH]c3n(C(C)C)c2c(F)c1C1CCN(C(C)C)CC1.

What is the InChIKey of 2-ethyl-4-fluoro-11-oxo-5-propan-2-yl-3-(1-propan-2-ylpiperidin-4-yl)-6H-indolo[2,3-b]quinoline-8-carbonitrile?

The InChIKey is ITNRFZGFYAGBKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33FN4O/c1-6-19-14-22-27(26(30)24(19)20-9-11-33(12-10-20)16(2)3)34(17(4)5)29-25(28(22)35)21-8-7-18(15-31)13-23(21)32-29/h7-8,13-14,16-17,20,32H,6,9-12H2,1-5H3.

What are the key properties of 2-ethyl-4-fluoro-11-oxo-5-propan-2-yl-3-(1-propan-2-ylpiperidin-4-yl)-6H-indolo[2,3-b]quinoline-8-carbonitrile?

2-ethyl-4-fluoro-11-oxo-5-propan-2-yl-3-(1-propan-2-ylpiperidin-4-yl)-6H-indolo[2,3-b]quinoline-8-carbonitrile has a molecular weight of 472.61 g/mol, XLogP of 6.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-ethyl-4-fluoro-11-oxo-5-propan-2-yl-3-(1-propan-2-ylpiperidin-4-yl)-6H-indolo[2,3-b]quinoline-8-carbonitrile is sourced from PubChem (CID 118347618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).