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

C164H159Cl2F3N30O15S2 — CID 157118265

IUPACN-(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
SMILESCOc1cc2cc(-c3ccccc3)nc(OC)c2cc1C.COc1ccc2c(OC)nc(-c3ccncc3)nc2c1Cl.COc1ccc2c(OC)nc(C(F)(F)F)nc2c1Cl.COc1nc2ccccc2nc1-c1cccs1.COc1nc2ccccc2nc1-n1nc(C)cc1C.COc1nc2ccccc2nc1CN1CCN(C)CC1.COc1nc2ccccc2nc1N1CCC(c2ccccc2)CC1.COc1nc2ccccc2nc1N1CCCCC1.COc1nc2ccccc2nc1NCc1ccccc1.COc1nc2ccccc2nc1NCc1csc2ccccc12.COc1nc2ccccc2nc1OC
InChIInChI=1S/C20H21N3O.C18H15N3OS.C18H17NO2.C16H15N3O.C15H12ClN3O2.C15H20N4O.C14H14N4O.C14H17N3O.C13H10N2OS.C11H8ClF3N2O2.C10H10N2O2/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;1-12-9-15-14(11-17(12)20-2)10-16(19-18(15)21-3)13-7-5-4-6-8-13;1-20-16-15(17-11-12-7-3-2-4-8-12)18-13-9-5-6-10-14(13)19-16;1-20-11-4-3-10-13(12(11)16)18-14(19-15(10)21-2)9-5-7-17-8-6-9;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;1-16-13-12(11-7-4-8-17-11)14-9-5-2-3-6-10(9)15-13;1-18-6-4-3-5-8(7(6)12)16-10(11(13,14)15)17-9(5)19-2;1-13-9-10(14-2)12-8-6-4-3-5-7(8)11-9/h2-10,16H,11-14H2,1H3;2-9,11H,10H2,1H3,(H,19,20);4-11H,1-3H3;2-10H,11H2,1H3,(H,17,18);3-8H,1-2H3;3-6H,7-11H2,1-2H3;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
InChIKeyAHQSBILYYPECFQ-UHFFFAOYSA-N
MW2982.30 g/mol
LogP34.12
Rot. Bonds30

About 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

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 (PubChem CID 157118265) has the molecular formula C164H159Cl2F3N30O15S2 and a molecular weight of 2982.30 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(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
PubChem CID157118265
Molecular FormulaC164H159Cl2F3N30O15S2
Molecular Weight2982.30 g/mol
Exact Mass2979.14
IUPAC NameN-(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
SMILESCOc1cc2cc(-c3ccccc3)nc(OC)c2cc1C.COc1ccc2c(OC)nc(-c3ccncc3)nc2c1Cl.COc1ccc2c(OC)nc(C(F)(F)F)nc2c1Cl.COc1nc2ccccc2nc1-c1cccs1.COc1nc2ccccc2nc1-n1nc(C)cc1C.COc1nc2ccccc2nc1CN1CCN(C)CC1.COc1nc2ccccc2nc1N1CCC(c2ccccc2)CC1.COc1nc2ccccc2nc1N1CCCCC1.COc1nc2ccccc2nc1NCc1ccccc1.COc1nc2ccccc2nc1NCc1csc2ccccc12.COc1nc2ccccc2nc1OC
InChIInChI=1S/C20H21N3O.C18H15N3OS.C18H17NO2.C16H15N3O.C15H12ClN3O2.C15H20N4O.C14H14N4O.C14H17N3O.C13H10N2OS.C11H8ClF3N2O2.C10H10N2O2/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;1-12-9-15-14(11-17(12)20-2)10-16(19-18(15)21-3)13-7-5-4-6-8-13;1-20-16-15(17-11-12-7-3-2-4-8-12)18-13-9-5-6-10-14(13)19-16;1-20-11-4-3-10-13(12(11)16)18-14(19-15(10)21-2)9-5-7-17-8-6-9;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;1-16-13-12(11-7-4-8-17-11)14-9-5-2-3-6-10(9)15-13;1-18-6-4-3-5-8(7(6)12)16-10(11(13,14)15)17-9(5)19-2;1-13-9-10(14-2)12-8-6-4-3-5-7(8)11-9/h2-10,16H,11-14H2,1H3;2-9,11H,10H2,1H3,(H,19,20);4-11H,1-3H3;2-10H,11H2,1H3,(H,17,18);3-8H,1-2H3;3-6H,7-11H2,1-2H3;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
InChIKeyAHQSBILYYPECFQ-UHFFFAOYSA-N
XLogP34.12
TPSA476.87 Ų
H-Bond Donors2
H-Bond Acceptors47
Rotatable Bonds30
Heavy Atoms216
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002982.30
LogP ≤ 534.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1047

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1cc2cc(-c3ccccc3)nc(OC)c2cc1C.COc1ccc2c(OC)nc(-c3ccncc3)nc2c1Cl.COc1ccc2c(OC)nc(C(F)(F)F)nc2c1Cl.COc1nc2ccccc2nc1-c1cccs1.COc1nc2ccccc2nc1-n1nc(C)cc1C.COc1nc2ccccc2nc1CN1CCN(C)CC1.COc1nc2ccccc2nc1N1CCC(c2ccccc2)CC1.COc1nc2ccccc2nc1N1CCCCC1.COc1nc2ccccc2nc1NCc1ccccc1.COc1nc2ccccc2nc1NCc1csc2ccccc12.COc1nc2ccccc2nc1OC.
What is the InChIKey of 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?
The InChIKey is AHQSBILYYPECFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O.C18H15N3OS.C18H17NO2.C16H15N3O.C15H12ClN3O2.C15H20N4O.C14H14N4O.C14H17N3O.C13H10N2OS.C11H8ClF3N2O2.C10H10N2O2/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;1-12-9-15-14(11-17(12)20-2)10-16(19-18(15)21-3)13-7-5-4-6-8-13;1-20-16-15(17-11-12-7-3-2-4-8-12)18-13-9-5-6-10-14(13)19-16;1-20-11-4-3-10-13(12(11)16)18-14(19-15(10)21-2)9-5-7-17-8-6-9;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;1-16-13-12(11-7-4-8-17-11)14-9-5-2-3-6-10(9)15-13;1-18-6-4-3-5-8(7(6)12)16-10(11(13,14)15)17-9(5)19-2;1-13-9-10(14-2)12-8-6-4-3-5-7(8)11-9/h2-10,16H,11-14H2,1H3;2-9,11H,10H2,1H3,(H,19,20);4-11H,1-3H3;2-10H,11H2,1H3,(H,17,18);3-8H,1-2H3;3-6H,7-11H2,1-2H3;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.
What are the key properties of 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?
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 has a molecular weight of 2982.30 g/mol, XLogP of 34.12, 30 rotatable bonds, 2 hydrogen bond donors, and 47 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;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 is sourced from PubChem (CID 157118265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).