3-[[7-cyano-9-(dimethylamino)-5,6-dihydrothieno[3,4-h]quinazolin-2-yl]amino]benzenesulfonamide;3-(4,5-dihydro-[1,2,5]oxadiazolo[3,4-h]quinazolin-8-ylamino)phenol;4-(4,5-dihydro-[1,2,5]oxadiazolo[3,4-h]quinazolin-8-ylamino)phenol;9-(dimethylamino)-2-(3-hydroxyanilino)-5,6-dihydrothieno[3,4-h]quinazoline-7-carbonitrile;9-(dimethylamino)-2-(4-hydroxyanilino)-5,6-dihydrothieno[3,4-h]quinazoline-7-carbonitrile

C85H74N26O8S4 — CID 159744275

About 3-[[7-cyano-9-(dimethylamino)-5,6-dihydrothieno[3,4-h]quinazolin-2-yl]amino]benzenesulfonamide;3-(4,5-dihydro-[1,2,5]oxadiazolo[3,4-h]quinazolin-8-ylamino)phenol;4-(4,5-dihydro-[1,2,5]oxadiazolo[3,4-h]quinazolin-8-ylamino)phenol;9-(dimethylamino)-2-(3-hydroxyanilino)-5,6-dihydrothieno[3,4-h]quinazoline-7-carbonitrile;9-(dimethylamino)-2-(4-hydroxyanilino)-5,6-dihydrothieno[3,4-h]quinazoline-7-carbonitrile

3-[[7-cyano-9-(dimethylamino)-5,6-dihydrothieno[3,4-h]quinazolin-2-yl]amino]benzenesulfonamide;3-(4,5-dihydro-[1,2,5]oxadiazolo[3,4-h]quinazolin-8-ylamino)phenol;4-(4,5-dihydro-[1,2,5]oxadiazolo[3,4-h]quinazolin-8-ylamino)phenol;9-(dimethylamino)-2-(3-hydroxyanilino)-5,6-dihydrothieno[3,4-h]quinazoline-7-carbonitrile;9-(dimethylamino)-2-(4-hydroxyanilino)-5,6-dihydrothieno[3,4-h]quinazoline-7-carbonitrile (PubChem CID 159744275) has the molecular formula C85H74N26O8S4 and a molecular weight of 1715.97 g/mol. Its IUPAC name is 3-[[7-cyano-9-(dimethylamino)-5,6-dihydrothieno[3,4-h]quinazolin-2-yl]amino]benzenesulfonamide;3-(4,5-dihydro-[1,2,5]oxadiazolo[3,4-h]quinazolin-8-ylamino)phenol;4-(4,5-dihydro-[1,2,5]oxadiazolo[3,4-h]quinazolin-8-ylamino)phenol;9-(dimethylamino)-2-(3-hydroxyanilino)-5,6-dihydrothieno[3,4-h]quinazoline-7-carbonitrile;9-(dimethylamino)-2-(4-hydroxyanilino)-5,6-dihydrothieno[3,4-h]quinazoline-7-carbonitrile.

Molecular Properties

• Compound Name: 3-[[7-cyano-9-(dimethylamino)-5,6-dihydrothieno[3,4-h]quinazolin-2-yl]amino]benzenesulfonamide;3-(4,5-dihydro-[1,2,5]oxadiazolo[3,4-h]quinazolin-8-ylamino)phenol;4-(4,5-dihydro-[1,2,5]oxadiazolo[3,4-h]quinazolin-8-ylamino)phenol;9-(dimethylamino)-2-(3-hydroxyanilino)-5,6-dihydrothieno[3,4-h]quinazoline-7-carbonitrile;9-(dimethylamino)-2-(4-hydroxyanilino)-5,6-dihydrothieno[3,4-h]quinazoline-7-carbonitrile
• PubChem CID: 159744275
• Molecular Formula: C85H74N26O8S4
• Molecular Weight: 1715.97 g/mol
• Exact Mass: 1714.51
• IUPAC Name: 3-[[7-cyano-9-(dimethylamino)-5,6-dihydrothieno[3,4-h]quinazolin-2-yl]amino]benzenesulfonamide;3-(4,5-dihydro-[1,2,5]oxadiazolo[3,4-h]quinazolin-8-ylamino)phenol;4-(4,5-dihydro-[1,2,5]oxadiazolo[3,4-h]quinazolin-8-ylamino)phenol;9-(dimethylamino)-2-(3-hydroxyanilino)-5,6-dihydrothieno[3,4-h]quinazoline-7-carbonitrile;9-(dimethylamino)-2-(4-hydroxyanilino)-5,6-dihydrothieno[3,4-h]quinazoline-7-carbonitrile
• SMILES: CN(C)c1sc(C#N)c2c1-c1nc(Nc3ccc(O)cc3)ncc1CC2.CN(C)c1sc(C#N)c2c1-c1nc(Nc3cccc(O)c3)ncc1CC2.CN(C)c1sc(C#N)c2c1-c1nc(Nc3cccc(S(N)(=O)=O)c3)ncc1CC2.Oc1ccc(Nc2ncc3c(n2)-c2nonc2CC3)cc1.Oc1cccc(Nc2ncc3c(n2)-c2nonc2CC3)c1
• InChI: InChI=1S/C19H18N6O2S2.2C19H17N5OS.2C14H11N5O2/c1-25(2)18-16-14(15(9-20)28-18)7-6-11-10-22-19(24-17(11)16)23-12-4-3-5-13(8-12)29(21,26)27;1-24(2)18-16-14(15(9-20)26-18)8-3-11-10-21-19(23-17(11)16)22-12-4-6-13(25)7-5-12;1-24(2)18-16-14(15(9-20)26-18)7-6-11-10-21-19(23-17(11)16)22-12-4-3-5-13(25)8-12;20-10-4-2-9(3-5-10)16-14-15-7-8-1-6-11-13(12(8)17-14)19-21-18-11;20-10-3-1-2-9(6-10)16-14-15-7-8-4-5-11-13(12(8)17-14)19-21-18-11/h3-5,8,10H,6-7H2,1-2H3,(H2,21,26,27)(H,22,23,24);4-7,10,25H,3,8H2,1-2H3,(H,21,22,23);3-5,8,10,25H,6-7H2,1-2H3,(H,21,22,23);2-5,7,20H,1,6H2,(H,15,16,17);1-3,6-7,20H,4-5H2,(H,15,16,17)
• InChIKey: NCVPJELKKJPEFA-UHFFFAOYSA-N
• XLogP: 14.16
• TPSA: 489.06 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 36
• Rotatable Bonds: 14
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1715.97
LogP ≤ 5	14.16
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[[7-cyano-9-(dimethylamino)-5,6-dihydrothieno[3,4-h]quinazolin-2-yl]amino]benzenesulfonamide;3-(4,5-dihydro-[1,2,5]oxadiazolo[3,4-h]quinazolin-8-ylamino)phenol;4-(4,5-dihydro-[1,2,5]oxadiazolo[3,4-h]quinazolin-8-ylamino)phenol;9-(dimethylamino)-2-(3-hydroxyanilino)-5,6-dihydrothieno[3,4-h]quinazoline-7-carbonitrile;9-(dimethylamino)-2-(4-hydroxyanilino)-5,6-dihydrothieno[3,4-h]quinazoline-7-carbonitrile?

The IUPAC name of 3-[[7-cyano-9-(dimethylamino)-5,6-dihydrothieno[3,4-h]quinazolin-2-yl]amino]benzenesulfonamide;3-(4,5-dihydro-[1,2,5]oxadiazolo[3,4-h]quinazolin-8-ylamino)phenol;4-(4,5-dihydro-[1,2,5]oxadiazolo[3,4-h]quinazolin-8-ylamino)phenol;9-(dimethylamino)-2-(3-hydroxyanilino)-5,6-dihydrothieno[3,4-h]quinazoline-7-carbonitrile;9-(dimethylamino)-2-(4-hydroxyanilino)-5,6-dihydrothieno[3,4-h]quinazoline-7-carbonitrile (CID 159744275) is 3-[[7-cyano-9-(dimethylamino)-5,6-dihydrothieno[3,4-h]quinazolin-2-yl]amino]benzenesulfonamide;3-(4,5-dihydro-[1,2,5]oxadiazolo[3,4-h]quinazolin-8-ylamino)phenol;4-(4,5-dihydro-[1,2,5]oxadiazolo[3,4-h]quinazolin-8-ylamino)phenol;9-(dimethylamino)-2-(3-hydroxyanilino)-5,6-dihydrothieno[3,4-h]quinazoline-7-carbonitrile;9-(dimethylamino)-2-(4-hydroxyanilino)-5,6-dihydrothieno[3,4-h]quinazoline-7-carbonitrile.

What is the SMILES notation for 3-[[7-cyano-9-(dimethylamino)-5,6-dihydrothieno[3,4-h]quinazolin-2-yl]amino]benzenesulfonamide;3-(4,5-dihydro-[1,2,5]oxadiazolo[3,4-h]quinazolin-8-ylamino)phenol;4-(4,5-dihydro-[1,2,5]oxadiazolo[3,4-h]quinazolin-8-ylamino)phenol;9-(dimethylamino)-2-(3-hydroxyanilino)-5,6-dihydrothieno[3,4-h]quinazoline-7-carbonitrile;9-(dimethylamino)-2-(4-hydroxyanilino)-5,6-dihydrothieno[3,4-h]quinazoline-7-carbonitrile?

The canonical SMILES for 3-[[7-cyano-9-(dimethylamino)-5,6-dihydrothieno[3,4-h]quinazolin-2-yl]amino]benzenesulfonamide;3-(4,5-dihydro-[1,2,5]oxadiazolo[3,4-h]quinazolin-8-ylamino)phenol;4-(4,5-dihydro-[1,2,5]oxadiazolo[3,4-h]quinazolin-8-ylamino)phenol;9-(dimethylamino)-2-(3-hydroxyanilino)-5,6-dihydrothieno[3,4-h]quinazoline-7-carbonitrile;9-(dimethylamino)-2-(4-hydroxyanilino)-5,6-dihydrothieno[3,4-h]quinazoline-7-carbonitrile is CN(C)c1sc(C#N)c2c1-c1nc(Nc3ccc(O)cc3)ncc1CC2.CN(C)c1sc(C#N)c2c1-c1nc(Nc3cccc(O)c3)ncc1CC2.CN(C)c1sc(C#N)c2c1-c1nc(Nc3cccc(S(N)(=O)=O)c3)ncc1CC2.Oc1ccc(Nc2ncc3c(n2)-c2nonc2CC3)cc1.Oc1cccc(Nc2ncc3c(n2)-c2nonc2CC3)c1.

What is the InChIKey of 3-[[7-cyano-9-(dimethylamino)-5,6-dihydrothieno[3,4-h]quinazolin-2-yl]amino]benzenesulfonamide;3-(4,5-dihydro-[1,2,5]oxadiazolo[3,4-h]quinazolin-8-ylamino)phenol;4-(4,5-dihydro-[1,2,5]oxadiazolo[3,4-h]quinazolin-8-ylamino)phenol;9-(dimethylamino)-2-(3-hydroxyanilino)-5,6-dihydrothieno[3,4-h]quinazoline-7-carbonitrile;9-(dimethylamino)-2-(4-hydroxyanilino)-5,6-dihydrothieno[3,4-h]quinazoline-7-carbonitrile?

The InChIKey is NCVPJELKKJPEFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O2S2.2C19H17N5OS.2C14H11N5O2/c1-25(2)18-16-14(15(9-20)28-18)7-6-11-10-22-19(24-17(11)16)23-12-4-3-5-13(8-12)29(21,26)27;1-24(2)18-16-14(15(9-20)26-18)8-3-11-10-21-19(23-17(11)16)22-12-4-6-13(25)7-5-12;1-24(2)18-16-14(15(9-20)26-18)7-6-11-10-21-19(23-17(11)16)22-12-4-3-5-13(25)8-12;20-10-4-2-9(3-5-10)16-14-15-7-8-1-6-11-13(12(8)17-14)19-21-18-11;20-10-3-1-2-9(6-10)16-14-15-7-8-4-5-11-13(12(8)17-14)19-21-18-11/h3-5,8,10H,6-7H2,1-2H3,(H2,21,26,27)(H,22,23,24);4-7,10,25H,3,8H2,1-2H3,(H,21,22,23);3-5,8,10,25H,6-7H2,1-2H3,(H,21,22,23);2-5,7,20H,1,6H2,(H,15,16,17);1-3,6-7,20H,4-5H2,(H,15,16,17).

What are the key properties of 3-[[7-cyano-9-(dimethylamino)-5,6-dihydrothieno[3,4-h]quinazolin-2-yl]amino]benzenesulfonamide;3-(4,5-dihydro-[1,2,5]oxadiazolo[3,4-h]quinazolin-8-ylamino)phenol;4-(4,5-dihydro-[1,2,5]oxadiazolo[3,4-h]quinazolin-8-ylamino)phenol;9-(dimethylamino)-2-(3-hydroxyanilino)-5,6-dihydrothieno[3,4-h]quinazoline-7-carbonitrile;9-(dimethylamino)-2-(4-hydroxyanilino)-5,6-dihydrothieno[3,4-h]quinazoline-7-carbonitrile?

3-[[7-cyano-9-(dimethylamino)-5,6-dihydrothieno[3,4-h]quinazolin-2-yl]amino]benzenesulfonamide;3-(4,5-dihydro-[1,2,5]oxadiazolo[3,4-h]quinazolin-8-ylamino)phenol;4-(4,5-dihydro-[1,2,5]oxadiazolo[3,4-h]quinazolin-8-ylamino)phenol;9-(dimethylamino)-2-(3-hydroxyanilino)-5,6-dihydrothieno[3,4-h]quinazoline-7-carbonitrile;9-(dimethylamino)-2-(4-hydroxyanilino)-5,6-dihydrothieno[3,4-h]quinazoline-7-carbonitrile has a molecular weight of 1715.97 g/mol, XLogP of 14.16, 14 rotatable bonds, 10 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[7-cyano-9-(dimethylamino)-5,6-dihydrothieno[3,4-h]quinazolin-2-yl]amino]benzenesulfonamide;3-(4,5-dihydro-[1,2,5]oxadiazolo[3,4-h]quinazolin-8-ylamino)phenol;4-(4,5-dihydro-[1,2,5]oxadiazolo[3,4-h]quinazolin-8-ylamino)phenol;9-(dimethylamino)-2-(3-hydroxyanilino)-5,6-dihydrothieno[3,4-h]quinazoline-7-carbonitrile;9-(dimethylamino)-2-(4-hydroxyanilino)-5,6-dihydrothieno[3,4-h]quinazoline-7-carbonitrile is sourced from PubChem (CID 159744275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).