2-[2-(1-benzothiophen-3-yl)ethyl]-3-methoxyquinoxaline;2,3-dimethoxyquinoxaline;2-methoxy-3-[(4-methylpiperazin-1-yl)methyl]quinoxaline;2-methoxy-3-(2-phenylethyl)quinoxaline;2-methoxy-3-(4-phenylpiperidin-1-yl)quinoxaline;4-methoxy-1-piperidin-1-ylisoquinoline;2-methoxyquinoxaline

C105H109N17O8S — CID 158731211

IUPAC2-[2-(1-benzothiophen-3-yl)ethyl]-3-methoxyquinoxaline;2,3-dimethoxyquinoxaline;2-methoxy-3-[(4-methylpiperazin-1-yl)methyl]quinoxaline;2-methoxy-3-(2-phenylethyl)quinoxaline;2-methoxy-3-(4-phenylpiperidin-1-yl)quinoxaline;4-methoxy-1-piperidin-1-ylisoquinoline;2-methoxyquinoxaline
SMILESCOc1cnc(N2CCCCC2)c2ccccc12.COc1cnc2ccccc2n1.COc1nc2ccccc2nc1CCc1ccccc1.COc1nc2ccccc2nc1CCc1csc2ccccc12.COc1nc2ccccc2nc1CN1CCN(C)CC1.COc1nc2ccccc2nc1N1CCC(c2ccccc2)CC1.COc1nc2ccccc2nc1OC
InChIInChI=1S/C20H21N3O.C19H16N2OS.C17H16N2O.C15H20N4O.C15H18N2O.C10H10N2O2.C9H8N2O/c1-24-20-19(21-17-9-5-6-10-18(17)22-20)23-13-11-16(12-14-23)15-7-3-2-4-8-15;1-22-19-17(20-15-7-3-4-8-16(15)21-19)11-10-13-12-23-18-9-5-2-6-14(13)18;1-20-17-16(12-11-13-7-3-2-4-8-13)18-14-9-5-6-10-15(14)19-17;1-18-7-9-19(10-8-18)11-14-15(20-2)17-13-6-4-3-5-12(13)16-14;1-18-14-11-16-15(17-9-5-2-6-10-17)13-8-4-3-7-12(13)14;1-13-9-10(14-2)12-8-6-4-3-5-7(8)11-9;1-12-9-6-10-7-4-2-3-5-8(7)11-9/h2-10,16H,11-14H2,1H3;2-9,12H,10-11H2,1H3;2-10H,11-12H2,1H3;3-6H,7-11H2,1-2H3;3-4,7-8,11H,2,5-6,9-10H2,1H3;3-6H,1-2H3;2-6H,1H3
InChIKeyILCUQYCEGWBXBV-UHFFFAOYSA-N
MW1769.20 g/mol
LogP19.99
Rot. Bonds19

About 2-[2-(1-benzothiophen-3-yl)ethyl]-3-methoxyquinoxaline;2,3-dimethoxyquinoxaline;2-methoxy-3-[(4-methylpiperazin-1-yl)methyl]quinoxaline;2-methoxy-3-(2-phenylethyl)quinoxaline;2-methoxy-3-(4-phenylpiperidin-1-yl)quinoxaline;4-methoxy-1-piperidin-1-ylisoquinoline;2-methoxyquinoxaline

2-[2-(1-benzothiophen-3-yl)ethyl]-3-methoxyquinoxaline;2,3-dimethoxyquinoxaline;2-methoxy-3-[(4-methylpiperazin-1-yl)methyl]quinoxaline;2-methoxy-3-(2-phenylethyl)quinoxaline;2-methoxy-3-(4-phenylpiperidin-1-yl)quinoxaline;4-methoxy-1-piperidin-1-ylisoquinoline;2-methoxyquinoxaline (PubChem CID 158731211) has the molecular formula C105H109N17O8S and a molecular weight of 1769.20 g/mol. Its IUPAC name is 2-[2-(1-benzothiophen-3-yl)ethyl]-3-methoxyquinoxaline;2,3-dimethoxyquinoxaline;2-methoxy-3-[(4-methylpiperazin-1-yl)methyl]quinoxaline;2-methoxy-3-(2-phenylethyl)quinoxaline;2-methoxy-3-(4-phenylpiperidin-1-yl)quinoxaline;4-methoxy-1-piperidin-1-ylisoquinoline;2-methoxyquinoxaline.

Molecular Properties

Compound Name2-[2-(1-benzothiophen-3-yl)ethyl]-3-methoxyquinoxaline;2,3-dimethoxyquinoxaline;2-methoxy-3-[(4-methylpiperazin-1-yl)methyl]quinoxaline;2-methoxy-3-(2-phenylethyl)quinoxaline;2-methoxy-3-(4-phenylpiperidin-1-yl)quinoxaline;4-methoxy-1-piperidin-1-ylisoquinoline;2-methoxyquinoxaline
PubChem CID158731211
Molecular FormulaC105H109N17O8S
Molecular Weight1769.20 g/mol
Exact Mass1767.84
IUPAC Name2-[2-(1-benzothiophen-3-yl)ethyl]-3-methoxyquinoxaline;2,3-dimethoxyquinoxaline;2-methoxy-3-[(4-methylpiperazin-1-yl)methyl]quinoxaline;2-methoxy-3-(2-phenylethyl)quinoxaline;2-methoxy-3-(4-phenylpiperidin-1-yl)quinoxaline;4-methoxy-1-piperidin-1-ylisoquinoline;2-methoxyquinoxaline
SMILESCOc1cnc(N2CCCCC2)c2ccccc12.COc1cnc2ccccc2n1.COc1nc2ccccc2nc1CCc1ccccc1.COc1nc2ccccc2nc1CCc1csc2ccccc12.COc1nc2ccccc2nc1CN1CCN(C)CC1.COc1nc2ccccc2nc1N1CCC(c2ccccc2)CC1.COc1nc2ccccc2nc1OC
InChIInChI=1S/C20H21N3O.C19H16N2OS.C17H16N2O.C15H20N4O.C15H18N2O.C10H10N2O2.C9H8N2O/c1-24-20-19(21-17-9-5-6-10-18(17)22-20)23-13-11-16(12-14-23)15-7-3-2-4-8-15;1-22-19-17(20-15-7-3-4-8-16(15)21-19)11-10-13-12-23-18-9-5-2-6-14(13)18;1-20-17-16(12-11-13-7-3-2-4-8-13)18-14-9-5-6-10-15(14)19-17;1-18-7-9-19(10-8-18)11-14-15(20-2)17-13-6-4-3-5-12(13)16-14;1-18-14-11-16-15(17-9-5-2-6-10-17)13-8-4-3-7-12(13)14;1-13-9-10(14-2)12-8-6-4-3-5-7(8)11-9;1-12-9-6-10-7-4-2-3-5-8(7)11-9/h2-10,16H,11-14H2,1H3;2-9,12H,10-11H2,1H3;2-10H,11-12H2,1H3;3-6H,7-11H2,1-2H3;3-4,7-8,11H,2,5-6,9-10H2,1H3;3-6H,1-2H3;2-6H,1H3
InChIKeyILCUQYCEGWBXBV-UHFFFAOYSA-N
XLogP19.99
TPSA254.37 Ų
H-Bond Donors
H-Bond Acceptors26
Rotatable Bonds19
Heavy Atoms131
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001769.20
LogP ≤ 519.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1026

Analyze 2-[2-(1-benzothiophen-3-yl)ethyl]-3-methoxyquinoxaline;2,3-dimethoxyquinoxaline;2-methoxy-3-[(4-methylpiperazin-1-yl)methyl]quinoxaline;2-methoxy-3-(2-phenylethyl)quinoxaline;2-methoxy-3-(4-phenylpiperidin-1-yl)quinoxaline;4-methoxy-1-piperidin-1-ylisoquinoline;2-methoxyquinoxaline with MolForge

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Related Compounds

N-(1-benzothiophen-3-ylmethyl)-3-methoxyquinoxalin-2-amine;N-benzyl-3-methoxyquinoxalin-2-amine;2,3-dimethoxyquinoxaline;2-(3,5-dimethylpyrazol-1-yl)-3-methoxyquinoxaline;methane;2-methoxy-3-[(4-methylpiperazin-1-yl)methyl]quinoxaline;2-methoxy-3-(4-phenylpiperidin-1-yl)quinoxaline;1-methoxy-4-piperidin-1-ylphthalazine;2-methoxy-3-piperidin-1-ylquinoxaline;2-methoxyquinoxaline;2-methoxy-3-thiophen-2-ylquinoxaline
CID 157328925
N-(1-benzothiophen-3-ylmethyl)-3-methoxyquinoxalin-2-amine;N-benzyl-3-methoxyquinoxalin-2-amine;2,3-dimethoxyquinoxaline;2-methoxy-3-[(4-methylpiperazin-1-yl)methyl]quinoxaline;2-methoxy-3-(4-phenylpiperidin-1-yl)quinoxaline;4-methoxy-1-piperidin-1-ylisoquinoline;2-methoxyquinoxaline
CID 157982912

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-benzothiophen-3-yl)ethyl]-3-methoxyquinoxaline;2,3-dimethoxyquinoxaline;2-methoxy-3-[(4-methylpiperazin-1-yl)methyl]quinoxaline;2-methoxy-3-(2-phenylethyl)quinoxaline;2-methoxy-3-(4-phenylpiperidin-1-yl)quinoxaline;4-methoxy-1-piperidin-1-ylisoquinoline;2-methoxyquinoxaline?
The IUPAC name of 2-[2-(1-benzothiophen-3-yl)ethyl]-3-methoxyquinoxaline;2,3-dimethoxyquinoxaline;2-methoxy-3-[(4-methylpiperazin-1-yl)methyl]quinoxaline;2-methoxy-3-(2-phenylethyl)quinoxaline;2-methoxy-3-(4-phenylpiperidin-1-yl)quinoxaline;4-methoxy-1-piperidin-1-ylisoquinoline;2-methoxyquinoxaline (CID 158731211) is 2-[2-(1-benzothiophen-3-yl)ethyl]-3-methoxyquinoxaline;2,3-dimethoxyquinoxaline;2-methoxy-3-[(4-methylpiperazin-1-yl)methyl]quinoxaline;2-methoxy-3-(2-phenylethyl)quinoxaline;2-methoxy-3-(4-phenylpiperidin-1-yl)quinoxaline;4-methoxy-1-piperidin-1-ylisoquinoline;2-methoxyquinoxaline.
What is the SMILES notation for 2-[2-(1-benzothiophen-3-yl)ethyl]-3-methoxyquinoxaline;2,3-dimethoxyquinoxaline;2-methoxy-3-[(4-methylpiperazin-1-yl)methyl]quinoxaline;2-methoxy-3-(2-phenylethyl)quinoxaline;2-methoxy-3-(4-phenylpiperidin-1-yl)quinoxaline;4-methoxy-1-piperidin-1-ylisoquinoline;2-methoxyquinoxaline?
The canonical SMILES for 2-[2-(1-benzothiophen-3-yl)ethyl]-3-methoxyquinoxaline;2,3-dimethoxyquinoxaline;2-methoxy-3-[(4-methylpiperazin-1-yl)methyl]quinoxaline;2-methoxy-3-(2-phenylethyl)quinoxaline;2-methoxy-3-(4-phenylpiperidin-1-yl)quinoxaline;4-methoxy-1-piperidin-1-ylisoquinoline;2-methoxyquinoxaline is COc1cnc(N2CCCCC2)c2ccccc12.COc1cnc2ccccc2n1.COc1nc2ccccc2nc1CCc1ccccc1.COc1nc2ccccc2nc1CCc1csc2ccccc12.COc1nc2ccccc2nc1CN1CCN(C)CC1.COc1nc2ccccc2nc1N1CCC(c2ccccc2)CC1.COc1nc2ccccc2nc1OC.
What is the InChIKey of 2-[2-(1-benzothiophen-3-yl)ethyl]-3-methoxyquinoxaline;2,3-dimethoxyquinoxaline;2-methoxy-3-[(4-methylpiperazin-1-yl)methyl]quinoxaline;2-methoxy-3-(2-phenylethyl)quinoxaline;2-methoxy-3-(4-phenylpiperidin-1-yl)quinoxaline;4-methoxy-1-piperidin-1-ylisoquinoline;2-methoxyquinoxaline?
The InChIKey is ILCUQYCEGWBXBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O.C19H16N2OS.C17H16N2O.C15H20N4O.C15H18N2O.C10H10N2O2.C9H8N2O/c1-24-20-19(21-17-9-5-6-10-18(17)22-20)23-13-11-16(12-14-23)15-7-3-2-4-8-15;1-22-19-17(20-15-7-3-4-8-16(15)21-19)11-10-13-12-23-18-9-5-2-6-14(13)18;1-20-17-16(12-11-13-7-3-2-4-8-13)18-14-9-5-6-10-15(14)19-17;1-18-7-9-19(10-8-18)11-14-15(20-2)17-13-6-4-3-5-12(13)16-14;1-18-14-11-16-15(17-9-5-2-6-10-17)13-8-4-3-7-12(13)14;1-13-9-10(14-2)12-8-6-4-3-5-7(8)11-9;1-12-9-6-10-7-4-2-3-5-8(7)11-9/h2-10,16H,11-14H2,1H3;2-9,12H,10-11H2,1H3;2-10H,11-12H2,1H3;3-6H,7-11H2,1-2H3;3-4,7-8,11H,2,5-6,9-10H2,1H3;3-6H,1-2H3;2-6H,1H3.
What are the key properties of 2-[2-(1-benzothiophen-3-yl)ethyl]-3-methoxyquinoxaline;2,3-dimethoxyquinoxaline;2-methoxy-3-[(4-methylpiperazin-1-yl)methyl]quinoxaline;2-methoxy-3-(2-phenylethyl)quinoxaline;2-methoxy-3-(4-phenylpiperidin-1-yl)quinoxaline;4-methoxy-1-piperidin-1-ylisoquinoline;2-methoxyquinoxaline?
2-[2-(1-benzothiophen-3-yl)ethyl]-3-methoxyquinoxaline;2,3-dimethoxyquinoxaline;2-methoxy-3-[(4-methylpiperazin-1-yl)methyl]quinoxaline;2-methoxy-3-(2-phenylethyl)quinoxaline;2-methoxy-3-(4-phenylpiperidin-1-yl)quinoxaline;4-methoxy-1-piperidin-1-ylisoquinoline;2-methoxyquinoxaline has a molecular weight of 1769.20 g/mol, XLogP of 19.99, 19 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-benzothiophen-3-yl)ethyl]-3-methoxyquinoxaline;2,3-dimethoxyquinoxaline;2-methoxy-3-[(4-methylpiperazin-1-yl)methyl]quinoxaline;2-methoxy-3-(2-phenylethyl)quinoxaline;2-methoxy-3-(4-phenylpiperidin-1-yl)quinoxaline;4-methoxy-1-piperidin-1-ylisoquinoline;2-methoxyquinoxaline is sourced from PubChem (CID 158731211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).