2-dibenzofuran-4-yl-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-2-(4-methoxyanilino)-6-nitroindole-3-carbonitrile;1-ethyl-6-methoxy-2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-(3-methyl-2-oxo-1,3-benzoxazol-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

C118H99N17O15S — CID 160841195

IUPAC2-dibenzofuran-4-yl-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-2-(4-methoxyanilino)-6-nitroindole-3-carbonitrile;1-ethyl-6-methoxy-2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-(3-methyl-2-oxo-1,3-benzoxazol-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
SMILESCCn1c(-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(-c2ccc3c(c2)oc(=O)n3C)c(C#N)c2ccc(OC)cc21.CCn1c(-c2cccc3c2oc2ccccc23)c(C#N)c2ccc(OC)cc21.CCn1c(-c2cccs2)c(C#N)c2ccc(OC)cc21.CCn1c(Nc2ccc(OC)cc2)c(C#N)c2ccc([N+](=O)[O-])cc21
InChIInChI=1S/C24H18N2O2.C21H19N3O3.C20H17N3O3.C19H15N3O3.C18H16N4O3.C16H14N2OS/c1-3-26-21-13-15(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;1-4-23-17-10-13(25-3)6-7-14(17)15(11-21)19(23)12-5-8-16-18(9-12)26-20(24)22(16)2;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;1-3-21-17-10-13(22(23)24)6-9-15(17)16(11-19)18(21)20-12-4-7-14(25-2)8-5-12;1-3-18-14-9-11(19-2)6-7-12(14)13(10-17)16(18)15-5-4-8-20-15/h4-13H,3H2,1-2H3;5-10H,4,12H2,1-3H3;5-10H,4H2,1-3H3;4-9H,3H2,1-2H3,(H,21,23);4-10,20H,3H2,1-2H3;4-9H,3H2,1-2H3
InChIKeyKBGICUCABSZEJV-UHFFFAOYSA-N
MW2027.26 g/mol
LogP25.43
Rot. Bonds20

About 2-dibenzofuran-4-yl-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-2-(4-methoxyanilino)-6-nitroindole-3-carbonitrile;1-ethyl-6-methoxy-2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-(3-methyl-2-oxo-1,3-benzoxazol-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-methoxyindole-3-carbonitrile;1-ethyl-2-(4-methoxyanilino)-6-nitroindole-3-carbonitrile;1-ethyl-6-methoxy-2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-(3-methyl-2-oxo-1,3-benzoxazol-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 160841195) has the molecular formula C118H99N17O15S and a molecular weight of 2027.26 g/mol. Its IUPAC name is 2-dibenzofuran-4-yl-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-2-(4-methoxyanilino)-6-nitroindole-3-carbonitrile;1-ethyl-6-methoxy-2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-(3-methyl-2-oxo-1,3-benzoxazol-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 Name2-dibenzofuran-4-yl-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-2-(4-methoxyanilino)-6-nitroindole-3-carbonitrile;1-ethyl-6-methoxy-2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-(3-methyl-2-oxo-1,3-benzoxazol-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 CID160841195
Molecular FormulaC118H99N17O15S
Molecular Weight2027.26 g/mol
Exact Mass2025.72
IUPAC Name2-dibenzofuran-4-yl-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-2-(4-methoxyanilino)-6-nitroindole-3-carbonitrile;1-ethyl-6-methoxy-2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-(3-methyl-2-oxo-1,3-benzoxazol-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
SMILESCCn1c(-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(-c2ccc3c(c2)oc(=O)n3C)c(C#N)c2ccc(OC)cc21.CCn1c(-c2cccc3c2oc2ccccc23)c(C#N)c2ccc(OC)cc21.CCn1c(-c2cccs2)c(C#N)c2ccc(OC)cc21.CCn1c(Nc2ccc(OC)cc2)c(C#N)c2ccc([N+](=O)[O-])cc21
InChIInChI=1S/C24H18N2O2.C21H19N3O3.C20H17N3O3.C19H15N3O3.C18H16N4O3.C16H14N2OS/c1-3-26-21-13-15(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;1-4-23-17-10-13(25-3)6-7-14(17)15(11-21)19(23)12-5-8-16-18(9-12)26-20(24)22(16)2;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;1-3-21-17-10-13(22(23)24)6-9-15(17)16(11-19)18(21)20-12-4-7-14(25-2)8-5-12;1-3-18-14-9-11(19-2)6-7-12(14)13(10-17)16(18)15-5-4-8-20-15/h4-13H,3H2,1-2H3;5-10H,4,12H2,1-3H3;5-10H,4H2,1-3H3;4-9H,3H2,1-2H3,(H,21,23);4-10,20H,3H2,1-2H3;4-9H,3H2,1-2H3
InChIKeyKBGICUCABSZEJV-UHFFFAOYSA-N
XLogP25.43
TPSA406.69 Ų
H-Bond Donors2
H-Bond Acceptors30
Rotatable Bonds20
Heavy Atoms151
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002027.26
LogP ≤ 525.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-dibenzofuran-4-yl-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-2-(4-methoxyanilino)-6-nitroindole-3-carbonitrile;1-ethyl-6-methoxy-2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-(3-methyl-2-oxo-1,3-benzoxazol-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 with MolForge

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Related Compounds

N-[4-(3-cyano-6-methoxy-1-methylindol-2-yl)phenyl]methanesulfonamide;2-dibenzofuran-4-yl-1-ethyl-6-methoxyindole-3-carbonitrile;2-dibenzothiophen-4-yl-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-2-(4-methoxyanilino)-6-nitroindole-3-carbonitrile;1-ethyl-6-methoxy-2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-(4-methylthiophen-2-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;N-[4-(6-methoxy-1-propylindol-2-yl)phenyl]ethanesulfonamide
CID 158597177
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
2-dibenzofuran-4-yl-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-6-methoxy-2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-(3-methyl-2-oxo-1,3-benzoxazol-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 159335306
2-dibenzofuran-4-yl-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-2-(4-methoxyanilino)-6-nitroindole-3-carbonitrile;1-ethyl-6-methoxy-2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-(2-oxo-3H-1,3-benzoxazol-6-yl)indole-3-carbonitrile;N-[4-(6-methoxy-1-propylindol-2-yl)phenyl]ethanesulfonamide
CID 160068371
bis(2-dibenzofuran-4-yl-1-ethyl-6-methoxyindole-3-carbonitrile);1-ethyl-6-methoxy-2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-(4-methylthiophen-2-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-(3-oxo-4H-1,4-benzoxazin-6-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-thiophen-2-ylindole-3-carbonitrile
CID 160803269

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-4-yl-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-2-(4-methoxyanilino)-6-nitroindole-3-carbonitrile;1-ethyl-6-methoxy-2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-(3-methyl-2-oxo-1,3-benzoxazol-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-methoxyindole-3-carbonitrile;1-ethyl-2-(4-methoxyanilino)-6-nitroindole-3-carbonitrile;1-ethyl-6-methoxy-2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-(3-methyl-2-oxo-1,3-benzoxazol-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 160841195) is 2-dibenzofuran-4-yl-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-2-(4-methoxyanilino)-6-nitroindole-3-carbonitrile;1-ethyl-6-methoxy-2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-(3-methyl-2-oxo-1,3-benzoxazol-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-methoxyindole-3-carbonitrile;1-ethyl-2-(4-methoxyanilino)-6-nitroindole-3-carbonitrile;1-ethyl-6-methoxy-2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-(3-methyl-2-oxo-1,3-benzoxazol-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-methoxyindole-3-carbonitrile;1-ethyl-2-(4-methoxyanilino)-6-nitroindole-3-carbonitrile;1-ethyl-6-methoxy-2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-(3-methyl-2-oxo-1,3-benzoxazol-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 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(-c2ccc3c(c2)oc(=O)n3C)c(C#N)c2ccc(OC)cc21.CCn1c(-c2cccc3c2oc2ccccc23)c(C#N)c2ccc(OC)cc21.CCn1c(-c2cccs2)c(C#N)c2ccc(OC)cc21.CCn1c(Nc2ccc(OC)cc2)c(C#N)c2ccc([N+](=O)[O-])cc21.
What is the InChIKey of 2-dibenzofuran-4-yl-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-2-(4-methoxyanilino)-6-nitroindole-3-carbonitrile;1-ethyl-6-methoxy-2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-(3-methyl-2-oxo-1,3-benzoxazol-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 KBGICUCABSZEJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2O2.C21H19N3O3.C20H17N3O3.C19H15N3O3.C18H16N4O3.C16H14N2OS/c1-3-26-21-13-15(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;1-4-23-17-10-13(25-3)6-7-14(17)15(11-21)19(23)12-5-8-16-18(9-12)26-20(24)22(16)2;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;1-3-21-17-10-13(22(23)24)6-9-15(17)16(11-19)18(21)20-12-4-7-14(25-2)8-5-12;1-3-18-14-9-11(19-2)6-7-12(14)13(10-17)16(18)15-5-4-8-20-15/h4-13H,3H2,1-2H3;5-10H,4,12H2,1-3H3;5-10H,4H2,1-3H3;4-9H,3H2,1-2H3,(H,21,23);4-10,20H,3H2,1-2H3;4-9H,3H2,1-2H3.
What are the key properties of 2-dibenzofuran-4-yl-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-2-(4-methoxyanilino)-6-nitroindole-3-carbonitrile;1-ethyl-6-methoxy-2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-(3-methyl-2-oxo-1,3-benzoxazol-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-methoxyindole-3-carbonitrile;1-ethyl-2-(4-methoxyanilino)-6-nitroindole-3-carbonitrile;1-ethyl-6-methoxy-2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-(3-methyl-2-oxo-1,3-benzoxazol-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 2027.26 g/mol, XLogP of 25.43, 20 rotatable bonds, 2 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-4-yl-1-ethyl-6-methoxyindole-3-carbonitrile;1-ethyl-2-(4-methoxyanilino)-6-nitroindole-3-carbonitrile;1-ethyl-6-methoxy-2-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)indole-3-carbonitrile;1-ethyl-6-methoxy-2-(3-methyl-2-oxo-1,3-benzoxazol-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 160841195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).