6-chloro-1-ethylindole-3-carbonitrile;6-chloro-1H-indole-3-carbonitrile;3-(1-ethyl-6-methoxyindol-3-yl)-5-(4-methoxyphenyl)-1,2-oxazole;1-ethyl-6-methoxy-2-[4-(morpholine-4-carbonyl)phenyl]indole-3-carbonitrile;1-(4-methoxyphenyl)indole-3-carbonitrile

C80H69Cl2N11O7 — CID 161134826

About 6-chloro-1-ethylindole-3-carbonitrile;6-chloro-1H-indole-3-carbonitrile;3-(1-ethyl-6-methoxyindol-3-yl)-5-(4-methoxyphenyl)-1,2-oxazole;1-ethyl-6-methoxy-2-[4-(morpholine-4-carbonyl)phenyl]indole-3-carbonitrile;1-(4-methoxyphenyl)indole-3-carbonitrile

6-chloro-1-ethylindole-3-carbonitrile;6-chloro-1H-indole-3-carbonitrile;3-(1-ethyl-6-methoxyindol-3-yl)-5-(4-methoxyphenyl)-1,2-oxazole;1-ethyl-6-methoxy-2-[4-(morpholine-4-carbonyl)phenyl]indole-3-carbonitrile;1-(4-methoxyphenyl)indole-3-carbonitrile (PubChem CID 161134826) has the molecular formula C80H69Cl2N11O7 and a molecular weight of 1367.41 g/mol. Its IUPAC name is 6-chloro-1-ethylindole-3-carbonitrile;6-chloro-1H-indole-3-carbonitrile;3-(1-ethyl-6-methoxyindol-3-yl)-5-(4-methoxyphenyl)-1,2-oxazole;1-ethyl-6-methoxy-2-[4-(morpholine-4-carbonyl)phenyl]indole-3-carbonitrile;1-(4-methoxyphenyl)indole-3-carbonitrile.

Molecular Properties

• Compound Name: 6-chloro-1-ethylindole-3-carbonitrile;6-chloro-1H-indole-3-carbonitrile;3-(1-ethyl-6-methoxyindol-3-yl)-5-(4-methoxyphenyl)-1,2-oxazole;1-ethyl-6-methoxy-2-[4-(morpholine-4-carbonyl)phenyl]indole-3-carbonitrile;1-(4-methoxyphenyl)indole-3-carbonitrile
• PubChem CID: 161134826
• Molecular Formula: C80H69Cl2N11O7
• Molecular Weight: 1367.41 g/mol
• Exact Mass: 1365.48
• IUPAC Name: 6-chloro-1-ethylindole-3-carbonitrile;6-chloro-1H-indole-3-carbonitrile;3-(1-ethyl-6-methoxyindol-3-yl)-5-(4-methoxyphenyl)-1,2-oxazole;1-ethyl-6-methoxy-2-[4-(morpholine-4-carbonyl)phenyl]indole-3-carbonitrile;1-(4-methoxyphenyl)indole-3-carbonitrile
• SMILES: CCn1c(-c2ccc(C(=O)N3CCOCC3)cc2)c(C#N)c2ccc(OC)cc21.CCn1cc(-c2cc(-c3ccc(OC)cc3)on2)c2ccc(OC)cc21.CCn1cc(C#N)c2ccc(Cl)cc21.COc1ccc(-n2cc(C#N)c3ccccc32)cc1.N#Cc1c[nH]c2cc(Cl)ccc12
• InChI: InChI=1S/C23H23N3O3.C21H20N2O3.C16H12N2O.C11H9ClN2.C9H5ClN2/c1-3-26-21-14-18(28-2)8-9-19(21)20(15-24)22(26)16-4-6-17(7-5-16)23(27)25-10-12-29-13-11-25;1-4-23-13-18(17-10-9-16(25-3)11-20(17)23)19-12-21(26-22-19)14-5-7-15(24-2)8-6-14;1-19-14-8-6-13(7-9-14)18-11-12(10-17)15-4-2-3-5-16(15)18;1-2-14-7-8(6-13)10-4-3-9(12)5-11(10)14;10-7-1-2-8-6(4-11)5-12-9(8)3-7/h4-9,14H,3,10-13H2,1-2H3;5-13H,4H2,1-3H3;2-9,11H,1H3;3-5,7H,2H2,1H3;1-3,5,12H
• InChIKey: UMQQJOVSIJAPGT-UHFFFAOYSA-N
• XLogP: 18.07
• TPSA: 223.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 16
• Rotatable Bonds: 12
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1367.41
LogP ≤ 5	18.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-ethylindole-3-carbonitrile;6-chloro-1H-indole-3-carbonitrile;3-(1-ethyl-6-methoxyindol-3-yl)-5-(4-methoxyphenyl)-1,2-oxazole;1-ethyl-6-methoxy-2-[4-(morpholine-4-carbonyl)phenyl]indole-3-carbonitrile;1-(4-methoxyphenyl)indole-3-carbonitrile?

The IUPAC name of 6-chloro-1-ethylindole-3-carbonitrile;6-chloro-1H-indole-3-carbonitrile;3-(1-ethyl-6-methoxyindol-3-yl)-5-(4-methoxyphenyl)-1,2-oxazole;1-ethyl-6-methoxy-2-[4-(morpholine-4-carbonyl)phenyl]indole-3-carbonitrile;1-(4-methoxyphenyl)indole-3-carbonitrile (CID 161134826) is 6-chloro-1-ethylindole-3-carbonitrile;6-chloro-1H-indole-3-carbonitrile;3-(1-ethyl-6-methoxyindol-3-yl)-5-(4-methoxyphenyl)-1,2-oxazole;1-ethyl-6-methoxy-2-[4-(morpholine-4-carbonyl)phenyl]indole-3-carbonitrile;1-(4-methoxyphenyl)indole-3-carbonitrile.

What is the SMILES notation for 6-chloro-1-ethylindole-3-carbonitrile;6-chloro-1H-indole-3-carbonitrile;3-(1-ethyl-6-methoxyindol-3-yl)-5-(4-methoxyphenyl)-1,2-oxazole;1-ethyl-6-methoxy-2-[4-(morpholine-4-carbonyl)phenyl]indole-3-carbonitrile;1-(4-methoxyphenyl)indole-3-carbonitrile?

The canonical SMILES for 6-chloro-1-ethylindole-3-carbonitrile;6-chloro-1H-indole-3-carbonitrile;3-(1-ethyl-6-methoxyindol-3-yl)-5-(4-methoxyphenyl)-1,2-oxazole;1-ethyl-6-methoxy-2-[4-(morpholine-4-carbonyl)phenyl]indole-3-carbonitrile;1-(4-methoxyphenyl)indole-3-carbonitrile is CCn1c(-c2ccc(C(=O)N3CCOCC3)cc2)c(C#N)c2ccc(OC)cc21.CCn1cc(-c2cc(-c3ccc(OC)cc3)on2)c2ccc(OC)cc21.CCn1cc(C#N)c2ccc(Cl)cc21.COc1ccc(-n2cc(C#N)c3ccccc32)cc1.N#Cc1c[nH]c2cc(Cl)ccc12.

What is the InChIKey of 6-chloro-1-ethylindole-3-carbonitrile;6-chloro-1H-indole-3-carbonitrile;3-(1-ethyl-6-methoxyindol-3-yl)-5-(4-methoxyphenyl)-1,2-oxazole;1-ethyl-6-methoxy-2-[4-(morpholine-4-carbonyl)phenyl]indole-3-carbonitrile;1-(4-methoxyphenyl)indole-3-carbonitrile?

The InChIKey is UMQQJOVSIJAPGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3.C21H20N2O3.C16H12N2O.C11H9ClN2.C9H5ClN2/c1-3-26-21-14-18(28-2)8-9-19(21)20(15-24)22(26)16-4-6-17(7-5-16)23(27)25-10-12-29-13-11-25;1-4-23-13-18(17-10-9-16(25-3)11-20(17)23)19-12-21(26-22-19)14-5-7-15(24-2)8-6-14;1-19-14-8-6-13(7-9-14)18-11-12(10-17)15-4-2-3-5-16(15)18;1-2-14-7-8(6-13)10-4-3-9(12)5-11(10)14;10-7-1-2-8-6(4-11)5-12-9(8)3-7/h4-9,14H,3,10-13H2,1-2H3;5-13H,4H2,1-3H3;2-9,11H,1H3;3-5,7H,2H2,1H3;1-3,5,12H.

What are the key properties of 6-chloro-1-ethylindole-3-carbonitrile;6-chloro-1H-indole-3-carbonitrile;3-(1-ethyl-6-methoxyindol-3-yl)-5-(4-methoxyphenyl)-1,2-oxazole;1-ethyl-6-methoxy-2-[4-(morpholine-4-carbonyl)phenyl]indole-3-carbonitrile;1-(4-methoxyphenyl)indole-3-carbonitrile?

6-chloro-1-ethylindole-3-carbonitrile;6-chloro-1H-indole-3-carbonitrile;3-(1-ethyl-6-methoxyindol-3-yl)-5-(4-methoxyphenyl)-1,2-oxazole;1-ethyl-6-methoxy-2-[4-(morpholine-4-carbonyl)phenyl]indole-3-carbonitrile;1-(4-methoxyphenyl)indole-3-carbonitrile has a molecular weight of 1367.41 g/mol, XLogP of 18.07, 12 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-1-ethylindole-3-carbonitrile;6-chloro-1H-indole-3-carbonitrile;3-(1-ethyl-6-methoxyindol-3-yl)-5-(4-methoxyphenyl)-1,2-oxazole;1-ethyl-6-methoxy-2-[4-(morpholine-4-carbonyl)phenyl]indole-3-carbonitrile;1-(4-methoxyphenyl)indole-3-carbonitrile is sourced from PubChem (CID 161134826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).