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

C157H158ClF3N28O12S2 — CID 158411834

IUPAC2-[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
SMILESCOc1cnc(N2CCCCC2)c2ccccc12.COc1cnc2ccccc2n1.COc1nc(C(F)(F)F)nc2c(Cl)c(C)ccc12.COc1nc2ccccc2nc1-c1cccs1.COc1nc2ccccc2nc1-n1nc(C)cc1C.COc1nc2ccccc2nc1CCc1ccccc1.COc1nc2ccccc2nc1CCc1csc2ccccc12.COc1nc2ccccc2nc1CN1CCN(C)CC1.COc1nc2ccccc2nc1N1CCC(c2ccccc2)CC1.COc1nc2ccccc2nc1N1CCCCC1.COc1nc2ccccc2nc1OC
InChIInChI=1S/C20H21N3O.C19H16N2OS.C17H16N2O.C15H20N4O.C15H18N2O.C14H14N4O.C14H17N3O.C13H10N2OS.C11H8ClF3N2O.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;1-9-8-10(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;1-16-13-12(11-7-4-8-17-11)14-9-5-2-3-6-10(9)15-13;1-5-3-4-6-8(7(5)12)16-10(11(13,14)15)17-9(6)18-2;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;4-8H,1-3H3;3-4,7-8H,2,5-6,9-10H2,1H3;2-8H,1H3;3-4H,1-2H3;3-6H,1-2H3;2-6H,1H3
InChIKeyGZKIQBVSIFRWKN-UHFFFAOYSA-N
MW2785.76 g/mol
LogP32.04
Rot. Bonds26

About 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

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 (PubChem CID 158411834) has the molecular formula C157H158ClF3N28O12S2 and a molecular weight of 2785.76 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID158411834
Molecular FormulaC157H158ClF3N28O12S2
Molecular Weight2785.76 g/mol
Exact Mass2783.17
IUPAC Name2-[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
SMILESCOc1cnc(N2CCCCC2)c2ccccc12.COc1cnc2ccccc2n1.COc1nc(C(F)(F)F)nc2c(Cl)c(C)ccc12.COc1nc2ccccc2nc1-c1cccs1.COc1nc2ccccc2nc1-n1nc(C)cc1C.COc1nc2ccccc2nc1CCc1ccccc1.COc1nc2ccccc2nc1CCc1csc2ccccc12.COc1nc2ccccc2nc1CN1CCN(C)CC1.COc1nc2ccccc2nc1N1CCC(c2ccccc2)CC1.COc1nc2ccccc2nc1N1CCCCC1.COc1nc2ccccc2nc1OC
InChIInChI=1S/C20H21N3O.C19H16N2OS.C17H16N2O.C15H20N4O.C15H18N2O.C14H14N4O.C14H17N3O.C13H10N2OS.C11H8ClF3N2O.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;1-9-8-10(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;1-16-13-12(11-7-4-8-17-11)14-9-5-2-3-6-10(9)15-13;1-5-3-4-6-8(7(5)12)16-10(11(13,14)15)17-9(6)18-2;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;4-8H,1-3H3;3-4,7-8H,2,5-6,9-10H2,1H3;2-8H,1H3;3-4H,1-2H3;3-6H,1-2H3;2-6H,1H3
InChIKeyGZKIQBVSIFRWKN-UHFFFAOYSA-N
XLogP32.04
TPSA415.47 Ų
H-Bond Donors
H-Bond Acceptors42
Rotatable Bonds26
Heavy Atoms203
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002785.76
LogP ≤ 532.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1042

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-benzothiophen-3-ylmethyl)-3-methoxyquinoxalin-2-amine;N-benzyl-3-methoxyquinoxalin-2-amine;8-chloro-4,7-dimethoxy-2-pyridin-4-ylquinazoline;8-chloro-4,7-dimethoxy-2-(trifluoromethyl)quinazoline;1,6-dimethoxy-7-methyl-3-phenylisoquinoline;2,3-dimethoxyquinoxaline;2-(3,5-dimethylpyrazol-1-yl)-3-methoxyquinoxaline;2-methoxy-3-[(4-methylpiperazin-1-yl)methyl]quinoxaline;2-methoxy-3-(4-phenylpiperidin-1-yl)quinoxaline;2-methoxy-3-piperidin-1-ylquinoxaline;2-methoxy-3-thiophen-2-ylquinoxaline
CID 157118265
8-Chloro-4-methoxy-7-methyl-2-pyridin-4-ylquinazoline;8-chloro-4-methoxy-7-methyl-2-(trifluoromethyl)quinazoline;2-(3,5-dimethylpyrazol-1-yl)-3-methoxyquinoxaline;1-methoxy-6,7-dimethyl-3-phenylisoquinoline;2-methoxy-3-piperidin-1-ylquinoxaline;2-methoxy-3-thiophen-2-ylquinoxaline
CID 158223007
8-Chloro-4,7-dimethoxy-2-pyridin-4-ylquinazoline;8-chloro-4,7-dimethoxy-2-(trifluoromethyl)quinazoline;2-cyclohexyl-3-methoxyquinoxaline;2-(3,5-dimethylpyrazol-1-yl)-3-methoxyquinoxaline;2-methoxy-3-thiophen-2-ylquinoxaline
CID 159455491
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1cnc(N2CCCCC2)c2ccccc12.COc1cnc2ccccc2n1.COc1nc(C(F)(F)F)nc2c(Cl)c(C)ccc12.COc1nc2ccccc2nc1-c1cccs1.COc1nc2ccccc2nc1-n1nc(C)cc1C.COc1nc2ccccc2nc1CCc1ccccc1.COc1nc2ccccc2nc1CCc1csc2ccccc12.COc1nc2ccccc2nc1CN1CCN(C)CC1.COc1nc2ccccc2nc1N1CCC(c2ccccc2)CC1.COc1nc2ccccc2nc1N1CCCCC1.COc1nc2ccccc2nc1OC.
What is the InChIKey of 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?
The InChIKey is GZKIQBVSIFRWKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O.C19H16N2OS.C17H16N2O.C15H20N4O.C15H18N2O.C14H14N4O.C14H17N3O.C13H10N2OS.C11H8ClF3N2O.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;1-9-8-10(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;1-16-13-12(11-7-4-8-17-11)14-9-5-2-3-6-10(9)15-13;1-5-3-4-6-8(7(5)12)16-10(11(13,14)15)17-9(6)18-2;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;4-8H,1-3H3;3-4,7-8H,2,5-6,9-10H2,1H3;2-8H,1H3;3-4H,1-2H3;3-6H,1-2H3;2-6H,1H3.
What are the key properties of 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?
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 has a molecular weight of 2785.76 g/mol, XLogP of 32.04, 26 rotatable bonds, 0 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158411834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).