2-[2-(5-tert-butyl-3H-indol-2-yl)ethyl]quinoxaline;2-[2-(6-chloro-5-methyl-3H-indol-2-yl)ethyl]quinoxaline;2-[2-(6-fluoro-5-methyl-3H-indol-2-yl)ethyl]quinoxaline;2-[2-(4-methyl-3H-indol-2-yl)ethyl]quinoxaline;2-(2-quinoxalin-2-ylethyl)-3H-benzo[g]indole;6-(2-quinoxalin-2-ylethyl)-7H-[1,3]dioxolo[4,5-f]indole

C120H104ClFN18O2 — CID 159892035

IUPAC2-[2-(5-tert-butyl-3H-indol-2-yl)ethyl]quinoxaline;2-[2-(6-chloro-5-methyl-3H-indol-2-yl)ethyl]quinoxaline;2-[2-(6-fluoro-5-methyl-3H-indol-2-yl)ethyl]quinoxaline;2-[2-(4-methyl-3H-indol-2-yl)ethyl]quinoxaline;2-(2-quinoxalin-2-ylethyl)-3H-benzo[g]indole;6-(2-quinoxalin-2-ylethyl)-7H-[1,3]dioxolo[4,5-f]indole
SMILESCC(C)(C)c1ccc2c(c1)CC(CCc1cnc3ccccc3n1)=N2.Cc1cc2c(cc1Cl)N=C(CCc1cnc3ccccc3n1)C2.Cc1cc2c(cc1F)N=C(CCc1cnc3ccccc3n1)C2.Cc1cccc2c1CC(CCc1cnc3ccccc3n1)=N2.c1ccc2c3c(ccc2c1)CC(CCc1cnc2ccccc2n1)=N3.c1ccc2nc(CCC3=Nc4cc5c(cc4C3)OCO5)cnc2c1
InChIInChI=1S/C22H17N3.C22H23N3.C19H16ClN3.C19H16FN3.C19H15N3O2.C19H17N3/c1-2-6-19-15(5-1)9-10-16-13-17(25-22(16)19)11-12-18-14-23-20-7-3-4-8-21(20)24-18;1-22(2,3)16-8-11-19-15(12-16)13-17(24-19)9-10-18-14-23-20-6-4-5-7-21(20)25-18;2*1-12-8-13-9-14(22-19(13)10-16(12)20)6-7-15-11-21-17-4-2-3-5-18(17)23-15;1-2-4-16-15(3-1)20-10-14(22-16)6-5-13-7-12-8-18-19(24-11-23-18)9-17(12)21-13;1-13-5-4-8-17-16(13)11-14(21-17)9-10-15-12-20-18-6-2-3-7-19(18)22-15/h1-10,14H,11-13H2;4-8,11-12,14H,9-10,13H2,1-3H3;2*2-5,8,10-11H,6-7,9H2,1H3;1-4,8-10H,5-7,11H2;2-8,12H,9-11H2,1H3
InChIKeyNUWJIPFHYMYBSR-UHFFFAOYSA-N
MW1884.73 g/mol
LogP27.24
Rot. Bonds18

About 2-[2-(5-tert-butyl-3H-indol-2-yl)ethyl]quinoxaline;2-[2-(6-chloro-5-methyl-3H-indol-2-yl)ethyl]quinoxaline;2-[2-(6-fluoro-5-methyl-3H-indol-2-yl)ethyl]quinoxaline;2-[2-(4-methyl-3H-indol-2-yl)ethyl]quinoxaline;2-(2-quinoxalin-2-ylethyl)-3H-benzo[g]indole;6-(2-quinoxalin-2-ylethyl)-7H-[1,3]dioxolo[4,5-f]indole

2-[2-(5-tert-butyl-3H-indol-2-yl)ethyl]quinoxaline;2-[2-(6-chloro-5-methyl-3H-indol-2-yl)ethyl]quinoxaline;2-[2-(6-fluoro-5-methyl-3H-indol-2-yl)ethyl]quinoxaline;2-[2-(4-methyl-3H-indol-2-yl)ethyl]quinoxaline;2-(2-quinoxalin-2-ylethyl)-3H-benzo[g]indole;6-(2-quinoxalin-2-ylethyl)-7H-[1,3]dioxolo[4,5-f]indole (PubChem CID 159892035) has the molecular formula C120H104ClFN18O2 and a molecular weight of 1884.73 g/mol. Its IUPAC name is 2-[2-(5-tert-butyl-3H-indol-2-yl)ethyl]quinoxaline;2-[2-(6-chloro-5-methyl-3H-indol-2-yl)ethyl]quinoxaline;2-[2-(6-fluoro-5-methyl-3H-indol-2-yl)ethyl]quinoxaline;2-[2-(4-methyl-3H-indol-2-yl)ethyl]quinoxaline;2-(2-quinoxalin-2-ylethyl)-3H-benzo[g]indole;6-(2-quinoxalin-2-ylethyl)-7H-[1,3]dioxolo[4,5-f]indole.

Molecular Properties

Compound Name2-[2-(5-tert-butyl-3H-indol-2-yl)ethyl]quinoxaline;2-[2-(6-chloro-5-methyl-3H-indol-2-yl)ethyl]quinoxaline;2-[2-(6-fluoro-5-methyl-3H-indol-2-yl)ethyl]quinoxaline;2-[2-(4-methyl-3H-indol-2-yl)ethyl]quinoxaline;2-(2-quinoxalin-2-ylethyl)-3H-benzo[g]indole;6-(2-quinoxalin-2-ylethyl)-7H-[1,3]dioxolo[4,5-f]indole
PubChem CID159892035
Molecular FormulaC120H104ClFN18O2
Molecular Weight1884.73 g/mol
Exact Mass1882.83
IUPAC Name2-[2-(5-tert-butyl-3H-indol-2-yl)ethyl]quinoxaline;2-[2-(6-chloro-5-methyl-3H-indol-2-yl)ethyl]quinoxaline;2-[2-(6-fluoro-5-methyl-3H-indol-2-yl)ethyl]quinoxaline;2-[2-(4-methyl-3H-indol-2-yl)ethyl]quinoxaline;2-(2-quinoxalin-2-ylethyl)-3H-benzo[g]indole;6-(2-quinoxalin-2-ylethyl)-7H-[1,3]dioxolo[4,5-f]indole
SMILESCC(C)(C)c1ccc2c(c1)CC(CCc1cnc3ccccc3n1)=N2.Cc1cc2c(cc1Cl)N=C(CCc1cnc3ccccc3n1)C2.Cc1cc2c(cc1F)N=C(CCc1cnc3ccccc3n1)C2.Cc1cccc2c1CC(CCc1cnc3ccccc3n1)=N2.c1ccc2c3c(ccc2c1)CC(CCc1cnc2ccccc2n1)=N3.c1ccc2nc(CCC3=Nc4cc5c(cc4C3)OCO5)cnc2c1
InChIInChI=1S/C22H17N3.C22H23N3.C19H16ClN3.C19H16FN3.C19H15N3O2.C19H17N3/c1-2-6-19-15(5-1)9-10-16-13-17(25-22(16)19)11-12-18-14-23-20-7-3-4-8-21(20)24-18;1-22(2,3)16-8-11-19-15(12-16)13-17(24-19)9-10-18-14-23-20-6-4-5-7-21(20)25-18;2*1-12-8-13-9-14(22-19(13)10-16(12)20)6-7-15-11-21-17-4-2-3-5-18(17)23-15;1-2-4-16-15(3-1)20-10-14(22-16)6-5-13-7-12-8-18-19(24-11-23-18)9-17(12)21-13;1-13-5-4-8-17-16(13)11-14(21-17)9-10-15-12-20-18-6-2-3-7-19(18)22-15/h1-10,14H,11-13H2;4-8,11-12,14H,9-10,13H2,1-3H3;2*2-5,8,10-11H,6-7,9H2,1H3;1-4,8-10H,5-7,11H2;2-8,12H,9-11H2,1H3
InChIKeyNUWJIPFHYMYBSR-UHFFFAOYSA-N
XLogP27.24
TPSA247.30 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds18
Heavy Atoms142
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001884.73
LogP ≤ 527.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze 2-[2-(5-tert-butyl-3H-indol-2-yl)ethyl]quinoxaline;2-[2-(6-chloro-5-methyl-3H-indol-2-yl)ethyl]quinoxaline;2-[2-(6-fluoro-5-methyl-3H-indol-2-yl)ethyl]quinoxaline;2-[2-(4-methyl-3H-indol-2-yl)ethyl]quinoxaline;2-(2-quinoxalin-2-ylethyl)-3H-benzo[g]indole;6-(2-quinoxalin-2-ylethyl)-7H-[1,3]dioxolo[4,5-f]indole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-tert-butyl-3H-indol-2-yl)ethyl]quinoxaline;2-[2-(6-chloro-5-methyl-3H-indol-2-yl)ethyl]quinoxaline;2-[2-(6-fluoro-5-methyl-3H-indol-2-yl)ethyl]quinoxaline;2-[2-(4-methyl-3H-indol-2-yl)ethyl]quinoxaline;2-(2-quinoxalin-2-ylethyl)-3H-benzo[g]indole;6-(2-quinoxalin-2-ylethyl)-7H-[1,3]dioxolo[4,5-f]indole?
The IUPAC name of 2-[2-(5-tert-butyl-3H-indol-2-yl)ethyl]quinoxaline;2-[2-(6-chloro-5-methyl-3H-indol-2-yl)ethyl]quinoxaline;2-[2-(6-fluoro-5-methyl-3H-indol-2-yl)ethyl]quinoxaline;2-[2-(4-methyl-3H-indol-2-yl)ethyl]quinoxaline;2-(2-quinoxalin-2-ylethyl)-3H-benzo[g]indole;6-(2-quinoxalin-2-ylethyl)-7H-[1,3]dioxolo[4,5-f]indole (CID 159892035) is 2-[2-(5-tert-butyl-3H-indol-2-yl)ethyl]quinoxaline;2-[2-(6-chloro-5-methyl-3H-indol-2-yl)ethyl]quinoxaline;2-[2-(6-fluoro-5-methyl-3H-indol-2-yl)ethyl]quinoxaline;2-[2-(4-methyl-3H-indol-2-yl)ethyl]quinoxaline;2-(2-quinoxalin-2-ylethyl)-3H-benzo[g]indole;6-(2-quinoxalin-2-ylethyl)-7H-[1,3]dioxolo[4,5-f]indole.
What is the SMILES notation for 2-[2-(5-tert-butyl-3H-indol-2-yl)ethyl]quinoxaline;2-[2-(6-chloro-5-methyl-3H-indol-2-yl)ethyl]quinoxaline;2-[2-(6-fluoro-5-methyl-3H-indol-2-yl)ethyl]quinoxaline;2-[2-(4-methyl-3H-indol-2-yl)ethyl]quinoxaline;2-(2-quinoxalin-2-ylethyl)-3H-benzo[g]indole;6-(2-quinoxalin-2-ylethyl)-7H-[1,3]dioxolo[4,5-f]indole?
The canonical SMILES for 2-[2-(5-tert-butyl-3H-indol-2-yl)ethyl]quinoxaline;2-[2-(6-chloro-5-methyl-3H-indol-2-yl)ethyl]quinoxaline;2-[2-(6-fluoro-5-methyl-3H-indol-2-yl)ethyl]quinoxaline;2-[2-(4-methyl-3H-indol-2-yl)ethyl]quinoxaline;2-(2-quinoxalin-2-ylethyl)-3H-benzo[g]indole;6-(2-quinoxalin-2-ylethyl)-7H-[1,3]dioxolo[4,5-f]indole is CC(C)(C)c1ccc2c(c1)CC(CCc1cnc3ccccc3n1)=N2.Cc1cc2c(cc1Cl)N=C(CCc1cnc3ccccc3n1)C2.Cc1cc2c(cc1F)N=C(CCc1cnc3ccccc3n1)C2.Cc1cccc2c1CC(CCc1cnc3ccccc3n1)=N2.c1ccc2c3c(ccc2c1)CC(CCc1cnc2ccccc2n1)=N3.c1ccc2nc(CCC3=Nc4cc5c(cc4C3)OCO5)cnc2c1.
What is the InChIKey of 2-[2-(5-tert-butyl-3H-indol-2-yl)ethyl]quinoxaline;2-[2-(6-chloro-5-methyl-3H-indol-2-yl)ethyl]quinoxaline;2-[2-(6-fluoro-5-methyl-3H-indol-2-yl)ethyl]quinoxaline;2-[2-(4-methyl-3H-indol-2-yl)ethyl]quinoxaline;2-(2-quinoxalin-2-ylethyl)-3H-benzo[g]indole;6-(2-quinoxalin-2-ylethyl)-7H-[1,3]dioxolo[4,5-f]indole?
The InChIKey is NUWJIPFHYMYBSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3.C22H23N3.C19H16ClN3.C19H16FN3.C19H15N3O2.C19H17N3/c1-2-6-19-15(5-1)9-10-16-13-17(25-22(16)19)11-12-18-14-23-20-7-3-4-8-21(20)24-18;1-22(2,3)16-8-11-19-15(12-16)13-17(24-19)9-10-18-14-23-20-6-4-5-7-21(20)25-18;2*1-12-8-13-9-14(22-19(13)10-16(12)20)6-7-15-11-21-17-4-2-3-5-18(17)23-15;1-2-4-16-15(3-1)20-10-14(22-16)6-5-13-7-12-8-18-19(24-11-23-18)9-17(12)21-13;1-13-5-4-8-17-16(13)11-14(21-17)9-10-15-12-20-18-6-2-3-7-19(18)22-15/h1-10,14H,11-13H2;4-8,11-12,14H,9-10,13H2,1-3H3;2*2-5,8,10-11H,6-7,9H2,1H3;1-4,8-10H,5-7,11H2;2-8,12H,9-11H2,1H3.
What are the key properties of 2-[2-(5-tert-butyl-3H-indol-2-yl)ethyl]quinoxaline;2-[2-(6-chloro-5-methyl-3H-indol-2-yl)ethyl]quinoxaline;2-[2-(6-fluoro-5-methyl-3H-indol-2-yl)ethyl]quinoxaline;2-[2-(4-methyl-3H-indol-2-yl)ethyl]quinoxaline;2-(2-quinoxalin-2-ylethyl)-3H-benzo[g]indole;6-(2-quinoxalin-2-ylethyl)-7H-[1,3]dioxolo[4,5-f]indole?
2-[2-(5-tert-butyl-3H-indol-2-yl)ethyl]quinoxaline;2-[2-(6-chloro-5-methyl-3H-indol-2-yl)ethyl]quinoxaline;2-[2-(6-fluoro-5-methyl-3H-indol-2-yl)ethyl]quinoxaline;2-[2-(4-methyl-3H-indol-2-yl)ethyl]quinoxaline;2-(2-quinoxalin-2-ylethyl)-3H-benzo[g]indole;6-(2-quinoxalin-2-ylethyl)-7H-[1,3]dioxolo[4,5-f]indole has a molecular weight of 1884.73 g/mol, XLogP of 27.24, 18 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-tert-butyl-3H-indol-2-yl)ethyl]quinoxaline;2-[2-(6-chloro-5-methyl-3H-indol-2-yl)ethyl]quinoxaline;2-[2-(6-fluoro-5-methyl-3H-indol-2-yl)ethyl]quinoxaline;2-[2-(4-methyl-3H-indol-2-yl)ethyl]quinoxaline;2-(2-quinoxalin-2-ylethyl)-3H-benzo[g]indole;6-(2-quinoxalin-2-ylethyl)-7H-[1,3]dioxolo[4,5-f]indole is sourced from PubChem (CID 159892035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).