3-[[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzamide;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-[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]-1H-pyrrole-2-carboxamide

C120H106N20O12S7 — CID 158557074

About 3-[[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzamide;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-[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]-1H-pyrrole-2-carboxamide

3-[[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzamide;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-[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]-1H-pyrrole-2-carboxamide (PubChem CID 158557074) has the molecular formula C120H106N20O12S7 and a molecular weight of 2244.76 g/mol. Its IUPAC name is 3-[[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzamide;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-[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]-1H-pyrrole-2-carboxamide.

Molecular Properties

• Compound Name: 3-[[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzamide;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-[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]-1H-pyrrole-2-carboxamide
• PubChem CID: 158557074
• Molecular Formula: C120H106N20O12S7
• Molecular Weight: 2244.76 g/mol
• Exact Mass: 2242.63
• IUPAC Name: 3-[[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzamide;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-[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]-1H-pyrrole-2-carboxamide
• SMILES: CNS(=O)(=O)c1cccc(Nc2ncc3c(n2)-c2cc(-c4cccc(OC)c4)sc2CC3)c1.COc1cccc(-c2cc3c(s2)CCc2cnc(NC(=O)c4ccc[nH]4)nc2-3)c1.COc1cccc(-c2cc3c(s2)CCc2cnc(Nc4cccc(C(N)=O)c4)nc2-3)c1.COc1cccc(-c2cc3c(s2)CCc2cnc(Nc4cccc(NC(C)=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.C24H22N4O3S2.C24H20N4O2S.C22H18N4O2S/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;1-25-33(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;1-30-18-7-3-4-14(11-18)21-12-19-20(31-21)9-8-16-13-26-24(28-22(16)19)27-17-6-2-5-15(10-17)23(25)29;1-28-15-5-2-4-13(10-15)19-11-16-18(29-19)8-7-14-12-24-22(25-20(14)16)26-21(27)17-6-3-9-23-17/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);3-8,11-14,25H,9-10H2,1-2H3,(H,26,27,28);2-7,10-13H,8-9H2,1H3,(H2,25,29)(H,26,27,28);2-6,9-12,23H,7-8H2,1H3,(H,24,25,26,27)
• InChIKey: HQKRQPIKEHZGRX-UHFFFAOYSA-N
• XLogP: 24.67
• TPSA: 423.80 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 31
• Rotatable Bonds: 26
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2244.76
LogP ≤ 5	24.67
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of 3-[[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzamide;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-[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]-1H-pyrrole-2-carboxamide?

The IUPAC name of 3-[[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzamide;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-[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]-1H-pyrrole-2-carboxamide (CID 158557074) is 3-[[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzamide;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-[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]-1H-pyrrole-2-carboxamide.

What is the SMILES notation for 3-[[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzamide;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-[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]-1H-pyrrole-2-carboxamide?

The canonical SMILES for 3-[[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzamide;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-[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]-1H-pyrrole-2-carboxamide is CNS(=O)(=O)c1cccc(Nc2ncc3c(n2)-c2cc(-c4cccc(OC)c4)sc2CC3)c1.COc1cccc(-c2cc3c(s2)CCc2cnc(NC(=O)c4ccc[nH]4)nc2-3)c1.COc1cccc(-c2cc3c(s2)CCc2cnc(Nc4cccc(C(N)=O)c4)nc2-3)c1.COc1cccc(-c2cc3c(s2)CCc2cnc(Nc4cccc(NC(C)=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]benzamide;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-[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]-1H-pyrrole-2-carboxamide?

The InChIKey is HQKRQPIKEHZGRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O3S2.C25H22N4O2S.C24H22N4O3S2.C24H20N4O2S.C22H18N4O2S/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;1-25-33(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;1-30-18-7-3-4-14(11-18)21-12-19-20(31-21)9-8-16-13-26-24(28-22(16)19)27-17-6-2-5-15(10-17)23(25)29;1-28-15-5-2-4-13(10-15)19-11-16-18(29-19)8-7-14-12-24-22(25-20(14)16)26-21(27)17-6-3-9-23-17/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);3-8,11-14,25H,9-10H2,1-2H3,(H,26,27,28);2-7,10-13H,8-9H2,1H3,(H2,25,29)(H,26,27,28);2-6,9-12,23H,7-8H2,1H3,(H,24,25,26,27).

What are the key properties of 3-[[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzamide;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-[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]-1H-pyrrole-2-carboxamide?

3-[[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]amino]benzamide;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-[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]-1H-pyrrole-2-carboxamide has a molecular weight of 2244.76 g/mol, XLogP of 24.67, 26 rotatable bonds, 9 hydrogen bond donors, and 31 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]benzamide;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-[8-(3-methoxyphenyl)-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 158557074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).