2-[2-(6-chloro-5-methyl-3H-indol-2-yl)ethyl]quinoxaline;2-[2-(5,6-dimethoxy-3H-indol-2-yl)ethyl]quinoxaline;2-[2-(5,6-dimethyl-3H-indol-2-yl)ethyl]quinoxaline;2-[2-(3H-indol-2-yl)ethyl]quinoxaline;2-(2-quinoxalin-2-ylethyl)-3H-benzo[f]indole

C99H86ClN15O2 — CID 158960555

IUPAC2-[2-(6-chloro-5-methyl-3H-indol-2-yl)ethyl]quinoxaline;2-[2-(5,6-dimethoxy-3H-indol-2-yl)ethyl]quinoxaline;2-[2-(5,6-dimethyl-3H-indol-2-yl)ethyl]quinoxaline;2-[2-(3H-indol-2-yl)ethyl]quinoxaline;2-(2-quinoxalin-2-ylethyl)-3H-benzo[f]indole
SMILESCOc1cc2c(cc1OC)N=C(CCc1cnc3ccccc3n1)C2.Cc1cc2c(cc1C)N=C(CCc1cnc3ccccc3n1)C2.Cc1cc2c(cc1Cl)N=C(CCc1cnc3ccccc3n1)C2.c1ccc2c(c1)CC(CCc1cnc3ccccc3n1)=N2.c1ccc2cc3c(cc2c1)CC(CCc1cnc2ccccc2n1)=N3
InChIInChI=1S/C22H17N3.C20H19N3O2.C20H19N3.C19H16ClN3.C18H15N3/c1-2-6-16-13-22-17(11-15(16)5-1)12-18(24-22)9-10-19-14-23-20-7-3-4-8-21(20)25-19;1-24-19-10-13-9-14(22-18(13)11-20(19)25-2)7-8-15-12-21-16-5-3-4-6-17(16)23-15;1-13-9-15-11-16(22-20(15)10-14(13)2)7-8-17-12-21-18-5-3-4-6-19(18)23-17;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;1-2-6-16-13(5-1)11-14(20-16)9-10-15-12-19-17-7-3-4-8-18(17)21-15/h1-8,11,13-14H,9-10,12H2;3-6,10-12H,7-9H2,1-2H3;3-6,9-10,12H,7-8,11H2,1-2H3;2-5,8,10-11H,6-7,9H2,1H3;1-8,12H,9-11H2
InChIKeyJMOJXYBGJLNNDZ-UHFFFAOYSA-N
MW1553.33 g/mol
LogP22.21
Rot. Bonds17

About 2-[2-(6-chloro-5-methyl-3H-indol-2-yl)ethyl]quinoxaline;2-[2-(5,6-dimethoxy-3H-indol-2-yl)ethyl]quinoxaline;2-[2-(5,6-dimethyl-3H-indol-2-yl)ethyl]quinoxaline;2-[2-(3H-indol-2-yl)ethyl]quinoxaline;2-(2-quinoxalin-2-ylethyl)-3H-benzo[f]indole

2-[2-(6-chloro-5-methyl-3H-indol-2-yl)ethyl]quinoxaline;2-[2-(5,6-dimethoxy-3H-indol-2-yl)ethyl]quinoxaline;2-[2-(5,6-dimethyl-3H-indol-2-yl)ethyl]quinoxaline;2-[2-(3H-indol-2-yl)ethyl]quinoxaline;2-(2-quinoxalin-2-ylethyl)-3H-benzo[f]indole (PubChem CID 158960555) has the molecular formula C99H86ClN15O2 and a molecular weight of 1553.33 g/mol. Its IUPAC name is 2-[2-(6-chloro-5-methyl-3H-indol-2-yl)ethyl]quinoxaline;2-[2-(5,6-dimethoxy-3H-indol-2-yl)ethyl]quinoxaline;2-[2-(5,6-dimethyl-3H-indol-2-yl)ethyl]quinoxaline;2-[2-(3H-indol-2-yl)ethyl]quinoxaline;2-(2-quinoxalin-2-ylethyl)-3H-benzo[f]indole.

Molecular Properties

Compound Name2-[2-(6-chloro-5-methyl-3H-indol-2-yl)ethyl]quinoxaline;2-[2-(5,6-dimethoxy-3H-indol-2-yl)ethyl]quinoxaline;2-[2-(5,6-dimethyl-3H-indol-2-yl)ethyl]quinoxaline;2-[2-(3H-indol-2-yl)ethyl]quinoxaline;2-(2-quinoxalin-2-ylethyl)-3H-benzo[f]indole
PubChem CID158960555
Molecular FormulaC99H86ClN15O2
Molecular Weight1553.33 g/mol
Exact Mass1551.68
IUPAC Name2-[2-(6-chloro-5-methyl-3H-indol-2-yl)ethyl]quinoxaline;2-[2-(5,6-dimethoxy-3H-indol-2-yl)ethyl]quinoxaline;2-[2-(5,6-dimethyl-3H-indol-2-yl)ethyl]quinoxaline;2-[2-(3H-indol-2-yl)ethyl]quinoxaline;2-(2-quinoxalin-2-ylethyl)-3H-benzo[f]indole
SMILESCOc1cc2c(cc1OC)N=C(CCc1cnc3ccccc3n1)C2.Cc1cc2c(cc1C)N=C(CCc1cnc3ccccc3n1)C2.Cc1cc2c(cc1Cl)N=C(CCc1cnc3ccccc3n1)C2.c1ccc2c(c1)CC(CCc1cnc3ccccc3n1)=N2.c1ccc2cc3c(cc2c1)CC(CCc1cnc2ccccc2n1)=N3
InChIInChI=1S/C22H17N3.C20H19N3O2.C20H19N3.C19H16ClN3.C18H15N3/c1-2-6-16-13-22-17(11-15(16)5-1)12-18(24-22)9-10-19-14-23-20-7-3-4-8-21(20)25-19;1-24-19-10-13-9-14(22-18(13)11-20(19)25-2)7-8-15-12-21-16-5-3-4-6-17(16)23-15;1-13-9-15-11-16(22-20(15)10-14(13)2)7-8-17-12-21-18-5-3-4-6-19(18)23-17;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;1-2-6-16-13(5-1)11-14(20-16)9-10-15-12-19-17-7-3-4-8-18(17)21-15/h1-8,11,13-14H,9-10,12H2;3-6,10-12H,7-9H2,1-2H3;3-6,9-10,12H,7-8,11H2,1-2H3;2-5,8,10-11H,6-7,9H2,1H3;1-8,12H,9-11H2
InChIKeyJMOJXYBGJLNNDZ-UHFFFAOYSA-N
XLogP22.21
TPSA209.16 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds17
Heavy Atoms117
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001553.33
LogP ≤ 522.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Analyze 2-[2-(6-chloro-5-methyl-3H-indol-2-yl)ethyl]quinoxaline;2-[2-(5,6-dimethoxy-3H-indol-2-yl)ethyl]quinoxaline;2-[2-(5,6-dimethyl-3H-indol-2-yl)ethyl]quinoxaline;2-[2-(3H-indol-2-yl)ethyl]quinoxaline;2-(2-quinoxalin-2-ylethyl)-3H-benzo[f]indole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(6-chloro-5-methyl-3H-indol-2-yl)ethyl]quinoxaline;2-[2-(5,6-dimethoxy-3H-indol-2-yl)ethyl]quinoxaline;2-[2-(5,6-dimethyl-3H-indol-2-yl)ethyl]quinoxaline;2-[2-(3H-indol-2-yl)ethyl]quinoxaline;2-(2-quinoxalin-2-ylethyl)-3H-benzo[f]indole?
The IUPAC name of 2-[2-(6-chloro-5-methyl-3H-indol-2-yl)ethyl]quinoxaline;2-[2-(5,6-dimethoxy-3H-indol-2-yl)ethyl]quinoxaline;2-[2-(5,6-dimethyl-3H-indol-2-yl)ethyl]quinoxaline;2-[2-(3H-indol-2-yl)ethyl]quinoxaline;2-(2-quinoxalin-2-ylethyl)-3H-benzo[f]indole (CID 158960555) is 2-[2-(6-chloro-5-methyl-3H-indol-2-yl)ethyl]quinoxaline;2-[2-(5,6-dimethoxy-3H-indol-2-yl)ethyl]quinoxaline;2-[2-(5,6-dimethyl-3H-indol-2-yl)ethyl]quinoxaline;2-[2-(3H-indol-2-yl)ethyl]quinoxaline;2-(2-quinoxalin-2-ylethyl)-3H-benzo[f]indole.
What is the SMILES notation for 2-[2-(6-chloro-5-methyl-3H-indol-2-yl)ethyl]quinoxaline;2-[2-(5,6-dimethoxy-3H-indol-2-yl)ethyl]quinoxaline;2-[2-(5,6-dimethyl-3H-indol-2-yl)ethyl]quinoxaline;2-[2-(3H-indol-2-yl)ethyl]quinoxaline;2-(2-quinoxalin-2-ylethyl)-3H-benzo[f]indole?
The canonical SMILES for 2-[2-(6-chloro-5-methyl-3H-indol-2-yl)ethyl]quinoxaline;2-[2-(5,6-dimethoxy-3H-indol-2-yl)ethyl]quinoxaline;2-[2-(5,6-dimethyl-3H-indol-2-yl)ethyl]quinoxaline;2-[2-(3H-indol-2-yl)ethyl]quinoxaline;2-(2-quinoxalin-2-ylethyl)-3H-benzo[f]indole is COc1cc2c(cc1OC)N=C(CCc1cnc3ccccc3n1)C2.Cc1cc2c(cc1C)N=C(CCc1cnc3ccccc3n1)C2.Cc1cc2c(cc1Cl)N=C(CCc1cnc3ccccc3n1)C2.c1ccc2c(c1)CC(CCc1cnc3ccccc3n1)=N2.c1ccc2cc3c(cc2c1)CC(CCc1cnc2ccccc2n1)=N3.
What is the InChIKey of 2-[2-(6-chloro-5-methyl-3H-indol-2-yl)ethyl]quinoxaline;2-[2-(5,6-dimethoxy-3H-indol-2-yl)ethyl]quinoxaline;2-[2-(5,6-dimethyl-3H-indol-2-yl)ethyl]quinoxaline;2-[2-(3H-indol-2-yl)ethyl]quinoxaline;2-(2-quinoxalin-2-ylethyl)-3H-benzo[f]indole?
The InChIKey is JMOJXYBGJLNNDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3.C20H19N3O2.C20H19N3.C19H16ClN3.C18H15N3/c1-2-6-16-13-22-17(11-15(16)5-1)12-18(24-22)9-10-19-14-23-20-7-3-4-8-21(20)25-19;1-24-19-10-13-9-14(22-18(13)11-20(19)25-2)7-8-15-12-21-16-5-3-4-6-17(16)23-15;1-13-9-15-11-16(22-20(15)10-14(13)2)7-8-17-12-21-18-5-3-4-6-19(18)23-17;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;1-2-6-16-13(5-1)11-14(20-16)9-10-15-12-19-17-7-3-4-8-18(17)21-15/h1-8,11,13-14H,9-10,12H2;3-6,10-12H,7-9H2,1-2H3;3-6,9-10,12H,7-8,11H2,1-2H3;2-5,8,10-11H,6-7,9H2,1H3;1-8,12H,9-11H2.
What are the key properties of 2-[2-(6-chloro-5-methyl-3H-indol-2-yl)ethyl]quinoxaline;2-[2-(5,6-dimethoxy-3H-indol-2-yl)ethyl]quinoxaline;2-[2-(5,6-dimethyl-3H-indol-2-yl)ethyl]quinoxaline;2-[2-(3H-indol-2-yl)ethyl]quinoxaline;2-(2-quinoxalin-2-ylethyl)-3H-benzo[f]indole?
2-[2-(6-chloro-5-methyl-3H-indol-2-yl)ethyl]quinoxaline;2-[2-(5,6-dimethoxy-3H-indol-2-yl)ethyl]quinoxaline;2-[2-(5,6-dimethyl-3H-indol-2-yl)ethyl]quinoxaline;2-[2-(3H-indol-2-yl)ethyl]quinoxaline;2-(2-quinoxalin-2-ylethyl)-3H-benzo[f]indole has a molecular weight of 1553.33 g/mol, XLogP of 22.21, 17 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(6-chloro-5-methyl-3H-indol-2-yl)ethyl]quinoxaline;2-[2-(5,6-dimethoxy-3H-indol-2-yl)ethyl]quinoxaline;2-[2-(5,6-dimethyl-3H-indol-2-yl)ethyl]quinoxaline;2-[2-(3H-indol-2-yl)ethyl]quinoxaline;2-(2-quinoxalin-2-ylethyl)-3H-benzo[f]indole is sourced from PubChem (CID 158960555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).