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

C145H155N29O11S2 — CID 157328925

IUPACN-(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
SMILESC.C.COc1cnc2ccccc2n1.COc1nc2ccccc2nc1-c1cccs1.COc1nc2ccccc2nc1-n1nc(C)cc1C.COc1nc2ccccc2nc1CN1CCN(C)CC1.COc1nc2ccccc2nc1N1CCC(c2ccccc2)CC1.COc1nc2ccccc2nc1N1CCCCC1.COc1nc2ccccc2nc1NCc1ccccc1.COc1nc2ccccc2nc1NCc1csc2ccccc12.COc1nc2ccccc2nc1OC.COc1nnc(N2CCCCC2)c2ccccc12
InChIInChI=1S/C20H21N3O.C18H15N3OS.C16H15N3O.C15H20N4O.C14H14N4O.2C14H17N3O.C13H10N2OS.C10H10N2O2.C9H8N2O.2CH4/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;1-22-18-17(20-14-7-3-4-8-15(14)21-18)19-10-12-11-23-16-9-5-2-6-13(12)16;1-20-16-15(17-11-12-7-3-2-4-8-12)18-13-9-5-6-10-14(13)19-16;1-18-7-9-19(10-8-18)11-14-15(20-2)17-13-6-4-3-5-12(13)16-14;1-9-8-10(2)18(17-9)13-14(19-3)16-12-7-5-4-6-11(12)15-13;1-18-14-13(17-9-5-2-6-10-17)15-11-7-3-4-8-12(11)16-14;1-18-14-12-8-4-3-7-11(12)13(15-16-14)17-9-5-2-6-10-17;1-16-13-12(11-7-4-8-17-11)14-9-5-2-3-6-10(9)15-13;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;2-9,11H,10H2,1H3,(H,19,20);2-10H,11H2,1H3,(H,17,18);3-6H,7-11H2,1-2H3;4-8H,1-3H3;2*3-4,7-8H,2,5-6,9-10H2,1H3;2-8H,1H3;3-6H,1-2H3;2-6H,1H3;2*1H4
InChIKeyBFBCGJWIXVMCMY-UHFFFAOYSA-N
MW2544.16 g/mol
LogP28.75
Rot. Bonds25

About 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

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 (PubChem CID 157328925) has the molecular formula C145H155N29O11S2 and a molecular weight of 2544.16 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(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
PubChem CID157328925
Molecular FormulaC145H155N29O11S2
Molecular Weight2544.16 g/mol
Exact Mass2542.19
IUPAC NameN-(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
SMILESC.C.COc1cnc2ccccc2n1.COc1nc2ccccc2nc1-c1cccs1.COc1nc2ccccc2nc1-n1nc(C)cc1C.COc1nc2ccccc2nc1CN1CCN(C)CC1.COc1nc2ccccc2nc1N1CCC(c2ccccc2)CC1.COc1nc2ccccc2nc1N1CCCCC1.COc1nc2ccccc2nc1NCc1ccccc1.COc1nc2ccccc2nc1NCc1csc2ccccc12.COc1nc2ccccc2nc1OC.COc1nnc(N2CCCCC2)c2ccccc12
InChIInChI=1S/C20H21N3O.C18H15N3OS.C16H15N3O.C15H20N4O.C14H14N4O.2C14H17N3O.C13H10N2OS.C10H10N2O2.C9H8N2O.2CH4/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;1-22-18-17(20-14-7-3-4-8-15(14)21-18)19-10-12-11-23-16-9-5-2-6-13(12)16;1-20-16-15(17-11-12-7-3-2-4-8-12)18-13-9-5-6-10-14(13)19-16;1-18-7-9-19(10-8-18)11-14-15(20-2)17-13-6-4-3-5-12(13)16-14;1-9-8-10(2)18(17-9)13-14(19-3)16-12-7-5-4-6-11(12)15-13;1-18-14-13(17-9-5-2-6-10-17)15-11-7-3-4-8-12(11)16-14;1-18-14-12-8-4-3-7-11(12)13(15-16-14)17-9-5-2-6-10-17;1-16-13-12(11-7-4-8-17-11)14-9-5-2-3-6-10(9)15-13;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;2-9,11H,10H2,1H3,(H,19,20);2-10H,11H2,1H3,(H,17,18);3-6H,7-11H2,1-2H3;4-8H,1-3H3;2*3-4,7-8H,2,5-6,9-10H2,1H3;2-8H,1H3;3-6H,1-2H3;2-6H,1H3;2*1H4
InChIKeyBFBCGJWIXVMCMY-UHFFFAOYSA-N
XLogP28.75
TPSA417.41 Ų
H-Bond Donors2
H-Bond Acceptors42
Rotatable Bonds25
Heavy Atoms187
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002544.16
LogP ≤ 528.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1042

Analyze 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 with MolForge

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Related Compounds

2-[2-(1-Benzothiophen-3-yl)ethyl]-3-methoxyquinoxaline;8-chloro-4-methoxy-7-methyl-2-(trifluoromethyl)quinazoline;2,3-dimethoxyquinoxaline;2-(3,5-dimethylpyrazol-1-yl)-3-methoxyquinoxaline;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-methoxy-3-piperidin-1-ylquinoxaline;2-methoxyquinoxaline;2-methoxy-3-thiophen-2-ylquinoxaline
CID 158411834
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
CID 158279065
CID 158279065
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
bis(3,4,4a,5,6,7,8,8a-octahydro-2H-chromene);3,4,4a,5,6,7,8,8a-octahydro-1H-isochromene;3,4,4a,5,6,7,8,8a-octahydro-2H-pyrano[2,3-c]pyridine;3,4,4a,5,6,7,8,8a-octahydro-2H-pyrano[3,2-c]pyridine;bis(3,4-dihydro-2H-chromene);7,8-dihydro-6H-pyrano[2,3-b]pyrazine;bis(3,4-dihydro-2H-pyrano[2,3-b]pyridine);3,4-dihydro-2H-pyrano[3,2-b]pyridine;6,7-dihydro-5H-pyrano[2,3-c]pyridazine;7,8-dihydro-6H-pyrano[3,2-c]pyridazine;3,4-dihydro-2H-pyrano[2,3-c]pyridine;3,4-dihydro-2H-pyrano[3,2-c]pyridine;3,4-dihydro-2H-pyrano[2,3-d]pyridazine;6,7-dihydro-5H-pyrano[2,3-d]pyrimidine;(2,2-dimethylpropane);bis(4,5,6,7-tetrahydro-1-benzothiophene);5,6,7,8-tetrahydropyrido[2,3-b]pyrazine;5,6,7,8-tetrahydropyrido[3,2-c]pyridazine;1,2,3,4-tetrahydropyrido[2,3-d]pyridazine;5,6,7,8-tetrahydropyrido[2,3-d]pyrimidine;4,5,6,7-tetrahydrothieno[2,3-c]pyridine;4,5,6,7-tetrahydrothieno[3,2-c]pyridine
CID 159153891

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C.C.COc1cnc2ccccc2n1.COc1nc2ccccc2nc1-c1cccs1.COc1nc2ccccc2nc1-n1nc(C)cc1C.COc1nc2ccccc2nc1CN1CCN(C)CC1.COc1nc2ccccc2nc1N1CCC(c2ccccc2)CC1.COc1nc2ccccc2nc1N1CCCCC1.COc1nc2ccccc2nc1NCc1ccccc1.COc1nc2ccccc2nc1NCc1csc2ccccc12.COc1nc2ccccc2nc1OC.COc1nnc(N2CCCCC2)c2ccccc12.
What is the InChIKey of 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?
The InChIKey is BFBCGJWIXVMCMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O.C18H15N3OS.C16H15N3O.C15H20N4O.C14H14N4O.2C14H17N3O.C13H10N2OS.C10H10N2O2.C9H8N2O.2CH4/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;1-22-18-17(20-14-7-3-4-8-15(14)21-18)19-10-12-11-23-16-9-5-2-6-13(12)16;1-20-16-15(17-11-12-7-3-2-4-8-12)18-13-9-5-6-10-14(13)19-16;1-18-7-9-19(10-8-18)11-14-15(20-2)17-13-6-4-3-5-12(13)16-14;1-9-8-10(2)18(17-9)13-14(19-3)16-12-7-5-4-6-11(12)15-13;1-18-14-13(17-9-5-2-6-10-17)15-11-7-3-4-8-12(11)16-14;1-18-14-12-8-4-3-7-11(12)13(15-16-14)17-9-5-2-6-10-17;1-16-13-12(11-7-4-8-17-11)14-9-5-2-3-6-10(9)15-13;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;2-9,11H,10H2,1H3,(H,19,20);2-10H,11H2,1H3,(H,17,18);3-6H,7-11H2,1-2H3;4-8H,1-3H3;2*3-4,7-8H,2,5-6,9-10H2,1H3;2-8H,1H3;3-6H,1-2H3;2-6H,1H3;2*1H4.
What are the key properties of 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?
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 has a molecular weight of 2544.16 g/mol, XLogP of 28.75, 25 rotatable bonds, 2 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157328925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).