2-dibenzofuran-4-yl-1-ethyl-6-methoxy-2,3-dihydroindole-3-carbonitrile;2-dibenzothiophen-4-yl-1-ethyl-6-methoxy-2,3-dihydroindole-3-carbonitrile;1-ethyl-6-methoxy-2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-(2-oxo-3H-1,3-benzoxazol-6-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-thiophen-2-ylindole-3-carbonitrile

C104H88N12O10S2 — CID 159311307

About 2-dibenzofuran-4-yl-1-ethyl-6-methoxy-2,3-dihydroindole-3-carbonitrile;2-dibenzothiophen-4-yl-1-ethyl-6-methoxy-2,3-dihydroindole-3-carbonitrile;1-ethyl-6-methoxy-2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-(2-oxo-3H-1,3-benzoxazol-6-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-thiophen-2-ylindole-3-carbonitrile

2-dibenzofuran-4-yl-1-ethyl-6-methoxy-2,3-dihydroindole-3-carbonitrile;2-dibenzothiophen-4-yl-1-ethyl-6-methoxy-2,3-dihydroindole-3-carbonitrile;1-ethyl-6-methoxy-2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-(2-oxo-3H-1,3-benzoxazol-6-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-thiophen-2-ylindole-3-carbonitrile (PubChem CID 159311307) has the molecular formula C104H88N12O10S2 and a molecular weight of 1730.06 g/mol. Its IUPAC name is 2-dibenzofuran-4-yl-1-ethyl-6-methoxy-2,3-dihydroindole-3-carbonitrile;2-dibenzothiophen-4-yl-1-ethyl-6-methoxy-2,3-dihydroindole-3-carbonitrile;1-ethyl-6-methoxy-2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-(2-oxo-3H-1,3-benzoxazol-6-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-thiophen-2-ylindole-3-carbonitrile.

Molecular Properties

• Compound Name: 2-dibenzofuran-4-yl-1-ethyl-6-methoxy-2,3-dihydroindole-3-carbonitrile;2-dibenzothiophen-4-yl-1-ethyl-6-methoxy-2,3-dihydroindole-3-carbonitrile;1-ethyl-6-methoxy-2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-(2-oxo-3H-1,3-benzoxazol-6-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-thiophen-2-ylindole-3-carbonitrile
• PubChem CID: 159311307
• Molecular Formula: C104H88N12O10S2
• Molecular Weight: 1730.06 g/mol
• Exact Mass: 1728.62
• IUPAC Name: 2-dibenzofuran-4-yl-1-ethyl-6-methoxy-2,3-dihydroindole-3-carbonitrile;2-dibenzothiophen-4-yl-1-ethyl-6-methoxy-2,3-dihydroindole-3-carbonitrile;1-ethyl-6-methoxy-2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-(2-oxo-3H-1,3-benzoxazol-6-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-thiophen-2-ylindole-3-carbonitrile
• SMILES: CCN1c2cc(OC)ccc2C(C#N)C1c1cccc2c1oc1ccccc12.CCN1c2cc(OC)ccc2C(C#N)C1c1cccc2c1sc1ccccc12.CCn1c(-c2ccc3[nH]c(=O)oc3c2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc3c(c2)N(C)C(=O)CO3)c(C#N)c2ccc(OC)cc21.CCn1c(-c2cccs2)c(C#N)c2ccc(OC)cc21
• InChI: InChI=1S/C24H20N2O2.C24H20N2OS.C21H19N3O3.C19H15N3O3.C16H14N2OS/c2*1-3-26-21-13-15(27-2)11-12-16(21)20(14-25)23(26)19-9-6-8-18-17-7-4-5-10-22(17)28-24(18)19;1-4-24-17-10-14(26-3)6-7-15(17)16(11-22)21(24)13-5-8-19-18(9-13)23(2)20(25)12-27-19;1-3-22-16-9-12(24-2)5-6-13(16)14(10-20)18(22)11-4-7-15-17(8-11)25-19(23)21-15;1-3-18-14-9-11(19-2)6-7-12(14)13(10-17)16(18)15-5-4-8-20-15/h2*4-13,20,23H,3H2,1-2H3;5-10H,4,12H2,1-3H3;4-9H,3H2,1-2H3,(H,21,23);4-9H,3H2,1-2H3
• InChIKey: LCOVBFDCMCURET-UHFFFAOYSA-N
• XLogP: 23.51
• TPSA: 275.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 22
• Rotatable Bonds: 15
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1730.06
LogP ≤ 5	23.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-4-yl-1-ethyl-6-methoxy-2,3-dihydroindole-3-carbonitrile;2-dibenzothiophen-4-yl-1-ethyl-6-methoxy-2,3-dihydroindole-3-carbonitrile;1-ethyl-6-methoxy-2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-(2-oxo-3H-1,3-benzoxazol-6-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-thiophen-2-ylindole-3-carbonitrile?

The IUPAC name of 2-dibenzofuran-4-yl-1-ethyl-6-methoxy-2,3-dihydroindole-3-carbonitrile;2-dibenzothiophen-4-yl-1-ethyl-6-methoxy-2,3-dihydroindole-3-carbonitrile;1-ethyl-6-methoxy-2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-(2-oxo-3H-1,3-benzoxazol-6-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-thiophen-2-ylindole-3-carbonitrile (CID 159311307) is 2-dibenzofuran-4-yl-1-ethyl-6-methoxy-2,3-dihydroindole-3-carbonitrile;2-dibenzothiophen-4-yl-1-ethyl-6-methoxy-2,3-dihydroindole-3-carbonitrile;1-ethyl-6-methoxy-2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-(2-oxo-3H-1,3-benzoxazol-6-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-thiophen-2-ylindole-3-carbonitrile.

What is the SMILES notation for 2-dibenzofuran-4-yl-1-ethyl-6-methoxy-2,3-dihydroindole-3-carbonitrile;2-dibenzothiophen-4-yl-1-ethyl-6-methoxy-2,3-dihydroindole-3-carbonitrile;1-ethyl-6-methoxy-2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-(2-oxo-3H-1,3-benzoxazol-6-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-thiophen-2-ylindole-3-carbonitrile?

The canonical SMILES for 2-dibenzofuran-4-yl-1-ethyl-6-methoxy-2,3-dihydroindole-3-carbonitrile;2-dibenzothiophen-4-yl-1-ethyl-6-methoxy-2,3-dihydroindole-3-carbonitrile;1-ethyl-6-methoxy-2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-(2-oxo-3H-1,3-benzoxazol-6-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-thiophen-2-ylindole-3-carbonitrile is CCN1c2cc(OC)ccc2C(C#N)C1c1cccc2c1oc1ccccc12.CCN1c2cc(OC)ccc2C(C#N)C1c1cccc2c1sc1ccccc12.CCn1c(-c2ccc3[nH]c(=O)oc3c2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc3c(c2)N(C)C(=O)CO3)c(C#N)c2ccc(OC)cc21.CCn1c(-c2cccs2)c(C#N)c2ccc(OC)cc21.

What is the InChIKey of 2-dibenzofuran-4-yl-1-ethyl-6-methoxy-2,3-dihydroindole-3-carbonitrile;2-dibenzothiophen-4-yl-1-ethyl-6-methoxy-2,3-dihydroindole-3-carbonitrile;1-ethyl-6-methoxy-2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-(2-oxo-3H-1,3-benzoxazol-6-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-thiophen-2-ylindole-3-carbonitrile?

The InChIKey is LCOVBFDCMCURET-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O2.C24H20N2OS.C21H19N3O3.C19H15N3O3.C16H14N2OS/c2*1-3-26-21-13-15(27-2)11-12-16(21)20(14-25)23(26)19-9-6-8-18-17-7-4-5-10-22(17)28-24(18)19;1-4-24-17-10-14(26-3)6-7-15(17)16(11-22)21(24)13-5-8-19-18(9-13)23(2)20(25)12-27-19;1-3-22-16-9-12(24-2)5-6-13(16)14(10-20)18(22)11-4-7-15-17(8-11)25-19(23)21-15;1-3-18-14-9-11(19-2)6-7-12(14)13(10-17)16(18)15-5-4-8-20-15/h2*4-13,20,23H,3H2,1-2H3;5-10H,4,12H2,1-3H3;4-9H,3H2,1-2H3,(H,21,23);4-9H,3H2,1-2H3.

What are the key properties of 2-dibenzofuran-4-yl-1-ethyl-6-methoxy-2,3-dihydroindole-3-carbonitrile;2-dibenzothiophen-4-yl-1-ethyl-6-methoxy-2,3-dihydroindole-3-carbonitrile;1-ethyl-6-methoxy-2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-(2-oxo-3H-1,3-benzoxazol-6-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-thiophen-2-ylindole-3-carbonitrile?

2-dibenzofuran-4-yl-1-ethyl-6-methoxy-2,3-dihydroindole-3-carbonitrile;2-dibenzothiophen-4-yl-1-ethyl-6-methoxy-2,3-dihydroindole-3-carbonitrile;1-ethyl-6-methoxy-2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-(2-oxo-3H-1,3-benzoxazol-6-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-thiophen-2-ylindole-3-carbonitrile has a molecular weight of 1730.06 g/mol, XLogP of 23.51, 15 rotatable bonds, 1 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 2-dibenzofuran-4-yl-1-ethyl-6-methoxy-2,3-dihydroindole-3-carbonitrile;2-dibenzothiophen-4-yl-1-ethyl-6-methoxy-2,3-dihydroindole-3-carbonitrile;1-ethyl-6-methoxy-2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-(2-oxo-3H-1,3-benzoxazol-6-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-thiophen-2-ylindole-3-carbonitrile is sourced from PubChem (CID 159311307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).