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)-3,5-dihydro-2H-furo[3,2-f]indole

C121H106ClFN18O — CID 158533285

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)-3,5-dihydro-2H-furo[3,2-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)CCO5)cnc2c1
InChIInChI=1S/C22H17N3.C22H23N3.C20H17N3O.C19H16ClN3.C19H16FN3.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;1-2-4-18-17(3-1)21-12-16(23-18)6-5-15-10-14-9-13-7-8-24-20(13)11-19(14)22-15;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;1-13-5-4-8-17-16(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;1-4,9,11-12H,5-8,10H2;2*2-5,8,10-11H,6-7,9H2,1H3;2-8,12H,9-11H2,1H3
InChIKeyHNQHKKJQFYRMOJ-UHFFFAOYSA-N
MW1882.75 g/mol
LogP27.45
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)-3,5-dihydro-2H-furo[3,2-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)-3,5-dihydro-2H-furo[3,2-f]indole (PubChem CID 158533285) has the molecular formula C121H106ClFN18O and a molecular weight of 1882.75 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)-3,5-dihydro-2H-furo[3,2-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)-3,5-dihydro-2H-furo[3,2-f]indole
PubChem CID158533285
Molecular FormulaC121H106ClFN18O
Molecular Weight1882.75 g/mol
Exact Mass1880.85
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)-3,5-dihydro-2H-furo[3,2-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)CCO5)cnc2c1
InChIInChI=1S/C22H17N3.C22H23N3.C20H17N3O.C19H16ClN3.C19H16FN3.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;1-2-4-18-17(3-1)21-12-16(23-18)6-5-15-10-14-9-13-7-8-24-20(13)11-19(14)22-15;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;1-13-5-4-8-17-16(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;1-4,9,11-12H,5-8,10H2;2*2-5,8,10-11H,6-7,9H2,1H3;2-8,12H,9-11H2,1H3
InChIKeyHNQHKKJQFYRMOJ-UHFFFAOYSA-N
XLogP27.45
TPSA238.07 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds18
Heavy Atoms142
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001882.75
LogP ≤ 527.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

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)-3,5-dihydro-2H-furo[3,2-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)-3,5-dihydro-2H-furo[3,2-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)-3,5-dihydro-2H-furo[3,2-f]indole (CID 158533285) 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)-3,5-dihydro-2H-furo[3,2-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)-3,5-dihydro-2H-furo[3,2-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)-3,5-dihydro-2H-furo[3,2-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)CCO5)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)-3,5-dihydro-2H-furo[3,2-f]indole?
The InChIKey is HNQHKKJQFYRMOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3.C22H23N3.C20H17N3O.C19H16ClN3.C19H16FN3.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;1-2-4-18-17(3-1)21-12-16(23-18)6-5-15-10-14-9-13-7-8-24-20(13)11-19(14)22-15;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;1-13-5-4-8-17-16(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;1-4,9,11-12H,5-8,10H2;2*2-5,8,10-11H,6-7,9H2,1H3;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)-3,5-dihydro-2H-furo[3,2-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)-3,5-dihydro-2H-furo[3,2-f]indole has a molecular weight of 1882.75 g/mol, XLogP of 27.45, 18 rotatable bonds, 0 hydrogen bond donors, and 19 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)-3,5-dihydro-2H-furo[3,2-f]indole is sourced from PubChem (CID 158533285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).