3-aminothieno[2,3-b]quinoline-2-carboxamide;3-aminothieno[3,2-b]quinoxaline-2-carboxamide;15-chloro-17-thia-2,9,12,14-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene;15-chloro-17-thia-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene;tetrakis(phosphoryl trichloride);bis(17-thia-2,9,12,14-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12-heptaen-15-one);bis(17-thia-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12-heptaen-15-one)

C98H54Cl14N28O10P4S8 — CID 161324775

About 3-aminothieno[2,3-b]quinoline-2-carboxamide;3-aminothieno[3,2-b]quinoxaline-2-carboxamide;15-chloro-17-thia-2,9,12,14-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene;15-chloro-17-thia-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene;tetrakis(phosphoryl trichloride);bis(17-thia-2,9,12,14-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12-heptaen-15-one);bis(17-thia-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12-heptaen-15-one)

3-aminothieno[2,3-b]quinoline-2-carboxamide;3-aminothieno[3,2-b]quinoxaline-2-carboxamide;15-chloro-17-thia-2,9,12,14-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene;15-chloro-17-thia-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene;tetrakis(phosphoryl trichloride);bis(17-thia-2,9,12,14-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12-heptaen-15-one);bis(17-thia-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12-heptaen-15-one) (PubChem CID 161324775) has the molecular formula C98H54Cl14N28O10P4S8 and a molecular weight of 2660.47 g/mol. Its IUPAC name is 3-aminothieno[2,3-b]quinoline-2-carboxamide;3-aminothieno[3,2-b]quinoxaline-2-carboxamide;15-chloro-17-thia-2,9,12,14-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene;15-chloro-17-thia-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene;tetrakis(phosphoryl trichloride);bis(17-thia-2,9,12,14-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12-heptaen-15-one);bis(17-thia-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12-heptaen-15-one).

Molecular Properties

• Compound Name: 3-aminothieno[2,3-b]quinoline-2-carboxamide;3-aminothieno[3,2-b]quinoxaline-2-carboxamide;15-chloro-17-thia-2,9,12,14-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene;15-chloro-17-thia-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene;tetrakis(phosphoryl trichloride);bis(17-thia-2,9,12,14-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12-heptaen-15-one);bis(17-thia-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12-heptaen-15-one)
• PubChem CID: 161324775
• Molecular Formula: C98H54Cl14N28O10P4S8
• Molecular Weight: 2660.47 g/mol
• Exact Mass: 2651.69
• IUPAC Name: 3-aminothieno[2,3-b]quinoline-2-carboxamide;3-aminothieno[3,2-b]quinoxaline-2-carboxamide;15-chloro-17-thia-2,9,12,14-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene;15-chloro-17-thia-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene;tetrakis(phosphoryl trichloride);bis(17-thia-2,9,12,14-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12-heptaen-15-one);bis(17-thia-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12-heptaen-15-one)
• SMILES: Clc1ncnc2c1sc1nc3ccccc3cc12.Clc1ncnc2c1sc1nc3ccccc3nc12.NC(=O)c1sc2nc3ccccc3cc2c1N.NC(=O)c1sc2nc3ccccc3nc2c1N.O=P(Cl)(Cl)Cl.O=P(Cl)(Cl)Cl.O=P(Cl)(Cl)Cl.O=P(Cl)(Cl)Cl.O=c1[nH]cnc2c1sc1nc3ccccc3cc12.O=c1[nH]cnc2c1sc1nc3ccccc3cc12.O=c1[nH]cnc2c1sc1nc3ccccc3nc12.O=c1[nH]cnc2c1sc1nc3ccccc3nc12
• InChI: InChI=1S/C13H6ClN3S.2C13H7N3OS.C12H5ClN4S.2C12H6N4OS.C12H9N3OS.C11H8N4OS.4Cl3OP/c14-12-11-10(15-6-16-12)8-5-7-3-1-2-4-9(7)17-13(8)18-11;2*17-12-11-10(14-6-15-12)8-5-7-3-1-2-4-9(7)16-13(8)18-11;13-11-10-8(14-5-15-11)9-12(18-10)17-7-4-2-1-3-6(7)16-9;2*17-11-10-8(13-5-14-11)9-12(18-10)16-7-4-2-1-3-6(7)15-9;13-9-7-5-6-3-1-2-4-8(6)15-12(7)17-10(9)11(14)16;12-7-8-11(17-9(7)10(13)16)15-6-4-2-1-3-5(6)14-8;4*1-5(2,3)4/h1-6H;2*1-6H,(H,14,15,17);1-5H;2*1-5H,(H,13,14,17);1-5H,13H2,(H2,14,16);1-4H,12H2,(H2,13,16)
• InChIKey: VKPWGWCSIZWZOG-UHFFFAOYSA-N
• XLogP: 31.92
• TPSA: 595.74 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 40
• Rotatable Bonds: 2
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2660.47
LogP ≤ 5	31.92
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-aminothieno[2,3-b]quinoline-2-carboxamide;3-aminothieno[3,2-b]quinoxaline-2-carboxamide;15-chloro-17-thia-2,9,12,14-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene;15-chloro-17-thia-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene;tetrakis(phosphoryl trichloride);bis(17-thia-2,9,12,14-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12-heptaen-15-one);bis(17-thia-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12-heptaen-15-one)?

The IUPAC name of 3-aminothieno[2,3-b]quinoline-2-carboxamide;3-aminothieno[3,2-b]quinoxaline-2-carboxamide;15-chloro-17-thia-2,9,12,14-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene;15-chloro-17-thia-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene;tetrakis(phosphoryl trichloride);bis(17-thia-2,9,12,14-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12-heptaen-15-one);bis(17-thia-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12-heptaen-15-one) (CID 161324775) is 3-aminothieno[2,3-b]quinoline-2-carboxamide;3-aminothieno[3,2-b]quinoxaline-2-carboxamide;15-chloro-17-thia-2,9,12,14-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene;15-chloro-17-thia-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene;tetrakis(phosphoryl trichloride);bis(17-thia-2,9,12,14-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12-heptaen-15-one);bis(17-thia-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12-heptaen-15-one).

What is the SMILES notation for 3-aminothieno[2,3-b]quinoline-2-carboxamide;3-aminothieno[3,2-b]quinoxaline-2-carboxamide;15-chloro-17-thia-2,9,12,14-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene;15-chloro-17-thia-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene;tetrakis(phosphoryl trichloride);bis(17-thia-2,9,12,14-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12-heptaen-15-one);bis(17-thia-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12-heptaen-15-one)?

The canonical SMILES for 3-aminothieno[2,3-b]quinoline-2-carboxamide;3-aminothieno[3,2-b]quinoxaline-2-carboxamide;15-chloro-17-thia-2,9,12,14-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene;15-chloro-17-thia-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene;tetrakis(phosphoryl trichloride);bis(17-thia-2,9,12,14-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12-heptaen-15-one);bis(17-thia-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12-heptaen-15-one) is Clc1ncnc2c1sc1nc3ccccc3cc12.Clc1ncnc2c1sc1nc3ccccc3nc12.NC(=O)c1sc2nc3ccccc3cc2c1N.NC(=O)c1sc2nc3ccccc3nc2c1N.O=P(Cl)(Cl)Cl.O=P(Cl)(Cl)Cl.O=P(Cl)(Cl)Cl.O=P(Cl)(Cl)Cl.O=c1[nH]cnc2c1sc1nc3ccccc3cc12.O=c1[nH]cnc2c1sc1nc3ccccc3cc12.O=c1[nH]cnc2c1sc1nc3ccccc3nc12.O=c1[nH]cnc2c1sc1nc3ccccc3nc12.

What is the InChIKey of 3-aminothieno[2,3-b]quinoline-2-carboxamide;3-aminothieno[3,2-b]quinoxaline-2-carboxamide;15-chloro-17-thia-2,9,12,14-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene;15-chloro-17-thia-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene;tetrakis(phosphoryl trichloride);bis(17-thia-2,9,12,14-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12-heptaen-15-one);bis(17-thia-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12-heptaen-15-one)?

The InChIKey is VKPWGWCSIZWZOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6ClN3S.2C13H7N3OS.C12H5ClN4S.2C12H6N4OS.C12H9N3OS.C11H8N4OS.4Cl3OP/c14-12-11-10(15-6-16-12)8-5-7-3-1-2-4-9(7)17-13(8)18-11;2*17-12-11-10(14-6-15-12)8-5-7-3-1-2-4-9(7)16-13(8)18-11;13-11-10-8(14-5-15-11)9-12(18-10)17-7-4-2-1-3-6(7)16-9;2*17-11-10-8(13-5-14-11)9-12(18-10)16-7-4-2-1-3-6(7)15-9;13-9-7-5-6-3-1-2-4-8(6)15-12(7)17-10(9)11(14)16;12-7-8-11(17-9(7)10(13)16)15-6-4-2-1-3-5(6)14-8;4*1-5(2,3)4/h1-6H;2*1-6H,(H,14,15,17);1-5H;2*1-5H,(H,13,14,17);1-5H,13H2,(H2,14,16);1-4H,12H2,(H2,13,16);;;;.

What are the key properties of 3-aminothieno[2,3-b]quinoline-2-carboxamide;3-aminothieno[3,2-b]quinoxaline-2-carboxamide;15-chloro-17-thia-2,9,12,14-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene;15-chloro-17-thia-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene;tetrakis(phosphoryl trichloride);bis(17-thia-2,9,12,14-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12-heptaen-15-one);bis(17-thia-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12-heptaen-15-one)?

3-aminothieno[2,3-b]quinoline-2-carboxamide;3-aminothieno[3,2-b]quinoxaline-2-carboxamide;15-chloro-17-thia-2,9,12,14-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene;15-chloro-17-thia-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene;tetrakis(phosphoryl trichloride);bis(17-thia-2,9,12,14-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12-heptaen-15-one);bis(17-thia-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12-heptaen-15-one) has a molecular weight of 2660.47 g/mol, XLogP of 31.92, 2 rotatable bonds, 8 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 3-aminothieno[2,3-b]quinoline-2-carboxamide;3-aminothieno[3,2-b]quinoxaline-2-carboxamide;15-chloro-17-thia-2,9,12,14-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene;15-chloro-17-thia-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene;tetrakis(phosphoryl trichloride);bis(17-thia-2,9,12,14-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12-heptaen-15-one);bis(17-thia-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12-heptaen-15-one) is sourced from PubChem (CID 161324775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).