3-[[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]-N,N-dimethylbenzenesulfonamide;3-[[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]-N-methylbenzenesulfonamide;N-[3-[[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]phenyl]acetamide;N-[3-[[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]phenyl]methanesulfonamide;3-N-[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]benzene-1,3-diamine

C121H110N20O12S8 — CID 158945240

About 3-[[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]-N,N-dimethylbenzenesulfonamide;3-[[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]-N-methylbenzenesulfonamide;N-[3-[[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]phenyl]acetamide;N-[3-[[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]phenyl]methanesulfonamide;3-N-[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]benzene-1,3-diamine

3-[[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]-N,N-dimethylbenzenesulfonamide;3-[[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]-N-methylbenzenesulfonamide;N-[3-[[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]phenyl]acetamide;N-[3-[[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]phenyl]methanesulfonamide;3-N-[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]benzene-1,3-diamine (PubChem CID 158945240) has the molecular formula C121H110N20O12S8 and a molecular weight of 2292.87 g/mol. Its IUPAC name is 3-[[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]-N,N-dimethylbenzenesulfonamide;3-[[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]-N-methylbenzenesulfonamide;N-[3-[[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]phenyl]acetamide;N-[3-[[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]phenyl]methanesulfonamide;3-N-[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]benzene-1,3-diamine.

Molecular Properties

• Compound Name: 3-[[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]-N,N-dimethylbenzenesulfonamide;3-[[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]-N-methylbenzenesulfonamide;N-[3-[[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]phenyl]acetamide;N-[3-[[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]phenyl]methanesulfonamide;3-N-[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]benzene-1,3-diamine
• PubChem CID: 158945240
• Molecular Formula: C121H110N20O12S8
• Molecular Weight: 2292.87 g/mol
• Exact Mass: 2290.64
• IUPAC Name: 3-[[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]-N,N-dimethylbenzenesulfonamide;3-[[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]-N-methylbenzenesulfonamide;N-[3-[[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]phenyl]acetamide;N-[3-[[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]phenyl]methanesulfonamide;3-N-[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]benzene-1,3-diamine
• SMILES: CNS(=O)(=O)c1cccc(Nc2ncc3c(n2)-c2cc(-c4cccc(OC)c4)sc2CC3)c1.COc1cccc(-c2cc3c(s2)CCc2cnc(Nc4cccc(N)c4)nc2-3)c1.COc1cccc(-c2cc3c(s2)CCc2cnc(Nc4cccc(NC(C)=O)c4)nc2-3)c1.COc1cccc(-c2cc3c(s2)CCc2cnc(Nc4cccc(NS(C)(=O)=O)c4)nc2-3)c1.COc1cccc(-c2cc3c(s2)CCc2cnc(Nc4cccc(S(=O)(=O)N(C)C)c4)nc2-3)c1
• InChI: InChI=1S/C25H24N4O3S2.C25H22N4O2S.2C24H22N4O3S2.C23H20N4OS/c1-29(2)34(30,31)20-9-5-7-18(13-20)27-25-26-15-17-10-11-22-21(24(17)28-25)14-23(33-22)16-6-4-8-19(12-16)32-3;1-15(30)27-18-6-4-7-19(12-18)28-25-26-14-17-9-10-22-21(24(17)29-25)13-23(32-22)16-5-3-8-20(11-16)31-2;1-31-19-8-3-5-15(11-19)22-13-20-21(32-22)10-9-16-14-25-24(27-23(16)20)26-17-6-4-7-18(12-17)28-33(2,29)30;1-25-33(29,30)19-8-4-6-17(12-19)27-24-26-14-16-9-10-21-20(23(16)28-24)13-22(32-21)15-5-3-7-18(11-15)31-2;1-28-18-7-2-4-14(10-18)21-12-19-20(29-21)9-8-15-13-25-23(27-22(15)19)26-17-6-3-5-16(24)11-17/h4-9,12-15H,10-11H2,1-3H3,(H,26,27,28);3-8,11-14H,9-10H2,1-2H3,(H,27,30)(H,26,28,29);3-8,11-14,28H,9-10H2,1-2H3,(H,25,26,27);3-8,11-14,25H,9-10H2,1-2H3,(H,26,27,28);2-7,10-13H,8-9,24H2,1H3,(H,25,26,27)
• InChIKey: JKSXTGCHLHZFJH-UHFFFAOYSA-N
• XLogP: 25.68
• TPSA: 420.04 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 33
• Rotatable Bonds: 27
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2292.87
LogP ≤ 5	25.68
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]-N,N-dimethylbenzenesulfonamide;3-[[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]-N-methylbenzenesulfonamide;N-[3-[[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]phenyl]acetamide;N-[3-[[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]phenyl]methanesulfonamide;3-N-[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]benzene-1,3-diamine?

The IUPAC name of 3-[[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]-N,N-dimethylbenzenesulfonamide;3-[[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]-N-methylbenzenesulfonamide;N-[3-[[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]phenyl]acetamide;N-[3-[[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]phenyl]methanesulfonamide;3-N-[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]benzene-1,3-diamine (CID 158945240) is 3-[[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]-N,N-dimethylbenzenesulfonamide;3-[[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]-N-methylbenzenesulfonamide;N-[3-[[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]phenyl]acetamide;N-[3-[[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]phenyl]methanesulfonamide;3-N-[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]benzene-1,3-diamine.

What is the SMILES notation for 3-[[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]-N,N-dimethylbenzenesulfonamide;3-[[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]-N-methylbenzenesulfonamide;N-[3-[[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]phenyl]acetamide;N-[3-[[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]phenyl]methanesulfonamide;3-N-[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]benzene-1,3-diamine?

The canonical SMILES for 3-[[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]-N,N-dimethylbenzenesulfonamide;3-[[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]-N-methylbenzenesulfonamide;N-[3-[[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]phenyl]acetamide;N-[3-[[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]phenyl]methanesulfonamide;3-N-[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]benzene-1,3-diamine is CNS(=O)(=O)c1cccc(Nc2ncc3c(n2)-c2cc(-c4cccc(OC)c4)sc2CC3)c1.COc1cccc(-c2cc3c(s2)CCc2cnc(Nc4cccc(N)c4)nc2-3)c1.COc1cccc(-c2cc3c(s2)CCc2cnc(Nc4cccc(NC(C)=O)c4)nc2-3)c1.COc1cccc(-c2cc3c(s2)CCc2cnc(Nc4cccc(NS(C)(=O)=O)c4)nc2-3)c1.COc1cccc(-c2cc3c(s2)CCc2cnc(Nc4cccc(S(=O)(=O)N(C)C)c4)nc2-3)c1.

What is the InChIKey of 3-[[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]-N,N-dimethylbenzenesulfonamide;3-[[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]-N-methylbenzenesulfonamide;N-[3-[[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]phenyl]acetamide;N-[3-[[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]phenyl]methanesulfonamide;3-N-[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]benzene-1,3-diamine?

The InChIKey is JKSXTGCHLHZFJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O3S2.C25H22N4O2S.2C24H22N4O3S2.C23H20N4OS/c1-29(2)34(30,31)20-9-5-7-18(13-20)27-25-26-15-17-10-11-22-21(24(17)28-25)14-23(33-22)16-6-4-8-19(12-16)32-3;1-15(30)27-18-6-4-7-19(12-18)28-25-26-14-17-9-10-22-21(24(17)29-25)13-23(32-22)16-5-3-8-20(11-16)31-2;1-31-19-8-3-5-15(11-19)22-13-20-21(32-22)10-9-16-14-25-24(27-23(16)20)26-17-6-4-7-18(12-17)28-33(2,29)30;1-25-33(29,30)19-8-4-6-17(12-19)27-24-26-14-16-9-10-21-20(23(16)28-24)13-22(32-21)15-5-3-7-18(11-15)31-2;1-28-18-7-2-4-14(10-18)21-12-19-20(29-21)9-8-15-13-25-23(27-22(15)19)26-17-6-3-5-16(24)11-17/h4-9,12-15H,10-11H2,1-3H3,(H,26,27,28);3-8,11-14H,9-10H2,1-2H3,(H,27,30)(H,26,28,29);3-8,11-14,28H,9-10H2,1-2H3,(H,25,26,27);3-8,11-14,25H,9-10H2,1-2H3,(H,26,27,28);2-7,10-13H,8-9,24H2,1H3,(H,25,26,27).

What are the key properties of 3-[[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]-N,N-dimethylbenzenesulfonamide;3-[[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]-N-methylbenzenesulfonamide;N-[3-[[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]phenyl]acetamide;N-[3-[[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]phenyl]methanesulfonamide;3-N-[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]benzene-1,3-diamine?

3-[[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]-N,N-dimethylbenzenesulfonamide;3-[[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]-N-methylbenzenesulfonamide;N-[3-[[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]phenyl]acetamide;N-[3-[[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]phenyl]methanesulfonamide;3-N-[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]benzene-1,3-diamine has a molecular weight of 2292.87 g/mol, XLogP of 25.68, 27 rotatable bonds, 9 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]-N,N-dimethylbenzenesulfonamide;3-[[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]-N-methylbenzenesulfonamide;N-[3-[[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]phenyl]acetamide;N-[3-[[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]phenyl]methanesulfonamide;3-N-[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]benzene-1,3-diamine is sourced from PubChem (CID 158945240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).