8-(2-methoxy-4-methylsulfonylphenyl)-N-(2-methyl-4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)quinazolin-2-amine;7-[[8-(2-methoxy-4-methylsulfonylphenyl)quinazolin-2-yl]amino]-2,3-dihydro-1-benzofuran-4-carboxamide;8-[2-methoxy-4-(trifluoromethyl)phenyl]-N-[(2R)-2-methyl-4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl]quinazolin-2-amine;4-[7-[[8-[2-methoxy-4-(trifluoromethyl)phenyl]quinazolin-2-yl]amino]-2,3-dihydro-1-benzofuran-4-yl]piperidin-4-ol

C114H110F6N16O14S2 — CID 161329325

About 8-(2-methoxy-4-methylsulfonylphenyl)-N-(2-methyl-4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)quinazolin-2-amine;7-[[8-(2-methoxy-4-methylsulfonylphenyl)quinazolin-2-yl]amino]-2,3-dihydro-1-benzofuran-4-carboxamide;8-[2-methoxy-4-(trifluoromethyl)phenyl]-N-[(2R)-2-methyl-4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl]quinazolin-2-amine;4-[7-[[8-[2-methoxy-4-(trifluoromethyl)phenyl]quinazolin-2-yl]amino]-2,3-dihydro-1-benzofuran-4-yl]piperidin-4-ol

8-(2-methoxy-4-methylsulfonylphenyl)-N-(2-methyl-4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)quinazolin-2-amine;7-[[8-(2-methoxy-4-methylsulfonylphenyl)quinazolin-2-yl]amino]-2,3-dihydro-1-benzofuran-4-carboxamide;8-[2-methoxy-4-(trifluoromethyl)phenyl]-N-[(2R)-2-methyl-4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl]quinazolin-2-amine;4-[7-[[8-[2-methoxy-4-(trifluoromethyl)phenyl]quinazolin-2-yl]amino]-2,3-dihydro-1-benzofuran-4-yl]piperidin-4-ol (PubChem CID 161329325) has the molecular formula C114H110F6N16O14S2 and a molecular weight of 2106.35 g/mol. Its IUPAC name is 8-(2-methoxy-4-methylsulfonylphenyl)-N-(2-methyl-4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)quinazolin-2-amine;7-[[8-(2-methoxy-4-methylsulfonylphenyl)quinazolin-2-yl]amino]-2,3-dihydro-1-benzofuran-4-carboxamide;8-[2-methoxy-4-(trifluoromethyl)phenyl]-N-[(2R)-2-methyl-4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl]quinazolin-2-amine;4-[7-[[8-[2-methoxy-4-(trifluoromethyl)phenyl]quinazolin-2-yl]amino]-2,3-dihydro-1-benzofuran-4-yl]piperidin-4-ol.

Molecular Properties

• Compound Name: 8-(2-methoxy-4-methylsulfonylphenyl)-N-(2-methyl-4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)quinazolin-2-amine;7-[[8-(2-methoxy-4-methylsulfonylphenyl)quinazolin-2-yl]amino]-2,3-dihydro-1-benzofuran-4-carboxamide;8-[2-methoxy-4-(trifluoromethyl)phenyl]-N-[(2R)-2-methyl-4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl]quinazolin-2-amine;4-[7-[[8-[2-methoxy-4-(trifluoromethyl)phenyl]quinazolin-2-yl]amino]-2,3-dihydro-1-benzofuran-4-yl]piperidin-4-ol
• PubChem CID: 161329325
• Molecular Formula: C114H110F6N16O14S2
• Molecular Weight: 2106.35 g/mol
• Exact Mass: 2104.77
• IUPAC Name: 8-(2-methoxy-4-methylsulfonylphenyl)-N-(2-methyl-4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)quinazolin-2-amine;7-[[8-(2-methoxy-4-methylsulfonylphenyl)quinazolin-2-yl]amino]-2,3-dihydro-1-benzofuran-4-carboxamide;8-[2-methoxy-4-(trifluoromethyl)phenyl]-N-[(2R)-2-methyl-4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl]quinazolin-2-amine;4-[7-[[8-[2-methoxy-4-(trifluoromethyl)phenyl]quinazolin-2-yl]amino]-2,3-dihydro-1-benzofuran-4-yl]piperidin-4-ol
• SMILES: COc1cc(C(F)(F)F)ccc1-c1cccc2cnc(Nc3ccc(C4(O)CCNCC4)c4c3OCC4)nc12.COc1cc(C(F)(F)F)ccc1-c1cccc2cnc(Nc3ccc(C4CCNCC4)c4c3O[C@H](C)C4)nc12.COc1cc(S(C)(=O)=O)ccc1-c1cccc2cnc(Nc3ccc(C(N)=O)c4c3OCC4)nc12.COc1cc(S(C)(=O)=O)ccc1-c1cccc2cnc(Nc3ccc(C4CCNCC4)c4c3OC(C)C4)nc12
• InChI: InChI=1S/C30H29F3N4O2.C30H32N4O4S.C29H27F3N4O3.C25H22N4O5S/c1-17-14-24-21(18-10-12-34-13-11-18)8-9-25(28(24)39-17)36-29-35-16-19-4-3-5-23(27(19)37-29)22-7-6-20(30(31,32)33)15-26(22)38-2;1-18-15-25-22(19-11-13-31-14-12-19)9-10-26(29(25)38-18)33-30-32-17-20-5-4-6-24(28(20)34-30)23-8-7-21(39(3,35)36)16-27(23)37-2;1-38-24-15-18(29(30,31)32)5-6-19(24)20-4-2-3-17-16-34-27(36-25(17)20)35-23-8-7-22(21-9-14-39-26(21)23)28(37)10-12-33-13-11-28;1-33-21-12-15(35(2,31)32)6-7-16(21)17-5-3-4-14-13-27-25(29-22(14)17)28-20-9-8-19(24(26)30)18-10-11-34-23(18)20/h3-9,15-18,34H,10-14H2,1-2H3,(H,35,36,37);4-10,16-19,31H,11-15H2,1-3H3,(H,32,33,34);2-8,15-16,33,37H,9-14H2,1H3,(H,34,35,36);3-9,12-13H,10-11H2,1-2H3,(H2,26,30)(H,27,28,29)/t17-;;;/m1.../s1
• InChIKey: VLEYWBBUSNWLSF-NMRXSTGRSA-N
• XLogP: 21.16
• TPSA: 392.77 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 29
• Rotatable Bonds: 22
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2106.35
LogP ≤ 5	21.16
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of 8-(2-methoxy-4-methylsulfonylphenyl)-N-(2-methyl-4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)quinazolin-2-amine;7-[[8-(2-methoxy-4-methylsulfonylphenyl)quinazolin-2-yl]amino]-2,3-dihydro-1-benzofuran-4-carboxamide;8-[2-methoxy-4-(trifluoromethyl)phenyl]-N-[(2R)-2-methyl-4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl]quinazolin-2-amine;4-[7-[[8-[2-methoxy-4-(trifluoromethyl)phenyl]quinazolin-2-yl]amino]-2,3-dihydro-1-benzofuran-4-yl]piperidin-4-ol?

The IUPAC name of 8-(2-methoxy-4-methylsulfonylphenyl)-N-(2-methyl-4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)quinazolin-2-amine;7-[[8-(2-methoxy-4-methylsulfonylphenyl)quinazolin-2-yl]amino]-2,3-dihydro-1-benzofuran-4-carboxamide;8-[2-methoxy-4-(trifluoromethyl)phenyl]-N-[(2R)-2-methyl-4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl]quinazolin-2-amine;4-[7-[[8-[2-methoxy-4-(trifluoromethyl)phenyl]quinazolin-2-yl]amino]-2,3-dihydro-1-benzofuran-4-yl]piperidin-4-ol (CID 161329325) is 8-(2-methoxy-4-methylsulfonylphenyl)-N-(2-methyl-4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)quinazolin-2-amine;7-[[8-(2-methoxy-4-methylsulfonylphenyl)quinazolin-2-yl]amino]-2,3-dihydro-1-benzofuran-4-carboxamide;8-[2-methoxy-4-(trifluoromethyl)phenyl]-N-[(2R)-2-methyl-4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl]quinazolin-2-amine;4-[7-[[8-[2-methoxy-4-(trifluoromethyl)phenyl]quinazolin-2-yl]amino]-2,3-dihydro-1-benzofuran-4-yl]piperidin-4-ol.

What is the SMILES notation for 8-(2-methoxy-4-methylsulfonylphenyl)-N-(2-methyl-4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)quinazolin-2-amine;7-[[8-(2-methoxy-4-methylsulfonylphenyl)quinazolin-2-yl]amino]-2,3-dihydro-1-benzofuran-4-carboxamide;8-[2-methoxy-4-(trifluoromethyl)phenyl]-N-[(2R)-2-methyl-4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl]quinazolin-2-amine;4-[7-[[8-[2-methoxy-4-(trifluoromethyl)phenyl]quinazolin-2-yl]amino]-2,3-dihydro-1-benzofuran-4-yl]piperidin-4-ol?

The canonical SMILES for 8-(2-methoxy-4-methylsulfonylphenyl)-N-(2-methyl-4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)quinazolin-2-amine;7-[[8-(2-methoxy-4-methylsulfonylphenyl)quinazolin-2-yl]amino]-2,3-dihydro-1-benzofuran-4-carboxamide;8-[2-methoxy-4-(trifluoromethyl)phenyl]-N-[(2R)-2-methyl-4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl]quinazolin-2-amine;4-[7-[[8-[2-methoxy-4-(trifluoromethyl)phenyl]quinazolin-2-yl]amino]-2,3-dihydro-1-benzofuran-4-yl]piperidin-4-ol is COc1cc(C(F)(F)F)ccc1-c1cccc2cnc(Nc3ccc(C4(O)CCNCC4)c4c3OCC4)nc12.COc1cc(C(F)(F)F)ccc1-c1cccc2cnc(Nc3ccc(C4CCNCC4)c4c3O[C@H](C)C4)nc12.COc1cc(S(C)(=O)=O)ccc1-c1cccc2cnc(Nc3ccc(C(N)=O)c4c3OCC4)nc12.COc1cc(S(C)(=O)=O)ccc1-c1cccc2cnc(Nc3ccc(C4CCNCC4)c4c3OC(C)C4)nc12.

What is the InChIKey of 8-(2-methoxy-4-methylsulfonylphenyl)-N-(2-methyl-4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)quinazolin-2-amine;7-[[8-(2-methoxy-4-methylsulfonylphenyl)quinazolin-2-yl]amino]-2,3-dihydro-1-benzofuran-4-carboxamide;8-[2-methoxy-4-(trifluoromethyl)phenyl]-N-[(2R)-2-methyl-4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl]quinazolin-2-amine;4-[7-[[8-[2-methoxy-4-(trifluoromethyl)phenyl]quinazolin-2-yl]amino]-2,3-dihydro-1-benzofuran-4-yl]piperidin-4-ol?

The InChIKey is VLEYWBBUSNWLSF-NMRXSTGRSA-N. The full InChI is InChI=1S/C30H29F3N4O2.C30H32N4O4S.C29H27F3N4O3.C25H22N4O5S/c1-17-14-24-21(18-10-12-34-13-11-18)8-9-25(28(24)39-17)36-29-35-16-19-4-3-5-23(27(19)37-29)22-7-6-20(30(31,32)33)15-26(22)38-2;1-18-15-25-22(19-11-13-31-14-12-19)9-10-26(29(25)38-18)33-30-32-17-20-5-4-6-24(28(20)34-30)23-8-7-21(39(3,35)36)16-27(23)37-2;1-38-24-15-18(29(30,31)32)5-6-19(24)20-4-2-3-17-16-34-27(36-25(17)20)35-23-8-7-22(21-9-14-39-26(21)23)28(37)10-12-33-13-11-28;1-33-21-12-15(35(2,31)32)6-7-16(21)17-5-3-4-14-13-27-25(29-22(14)17)28-20-9-8-19(24(26)30)18-10-11-34-23(18)20/h3-9,15-18,34H,10-14H2,1-2H3,(H,35,36,37);4-10,16-19,31H,11-15H2,1-3H3,(H,32,33,34);2-8,15-16,33,37H,9-14H2,1H3,(H,34,35,36);3-9,12-13H,10-11H2,1-2H3,(H2,26,30)(H,27,28,29)/t17-;;;/m1.../s1.

What are the key properties of 8-(2-methoxy-4-methylsulfonylphenyl)-N-(2-methyl-4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)quinazolin-2-amine;7-[[8-(2-methoxy-4-methylsulfonylphenyl)quinazolin-2-yl]amino]-2,3-dihydro-1-benzofuran-4-carboxamide;8-[2-methoxy-4-(trifluoromethyl)phenyl]-N-[(2R)-2-methyl-4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl]quinazolin-2-amine;4-[7-[[8-[2-methoxy-4-(trifluoromethyl)phenyl]quinazolin-2-yl]amino]-2,3-dihydro-1-benzofuran-4-yl]piperidin-4-ol?

8-(2-methoxy-4-methylsulfonylphenyl)-N-(2-methyl-4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)quinazolin-2-amine;7-[[8-(2-methoxy-4-methylsulfonylphenyl)quinazolin-2-yl]amino]-2,3-dihydro-1-benzofuran-4-carboxamide;8-[2-methoxy-4-(trifluoromethyl)phenyl]-N-[(2R)-2-methyl-4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl]quinazolin-2-amine;4-[7-[[8-[2-methoxy-4-(trifluoromethyl)phenyl]quinazolin-2-yl]amino]-2,3-dihydro-1-benzofuran-4-yl]piperidin-4-ol has a molecular weight of 2106.35 g/mol, XLogP of 21.16, 22 rotatable bonds, 9 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(2-methoxy-4-methylsulfonylphenyl)-N-(2-methyl-4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)quinazolin-2-amine;7-[[8-(2-methoxy-4-methylsulfonylphenyl)quinazolin-2-yl]amino]-2,3-dihydro-1-benzofuran-4-carboxamide;8-[2-methoxy-4-(trifluoromethyl)phenyl]-N-[(2R)-2-methyl-4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl]quinazolin-2-amine;4-[7-[[8-[2-methoxy-4-(trifluoromethyl)phenyl]quinazolin-2-yl]amino]-2,3-dihydro-1-benzofuran-4-yl]piperidin-4-ol is sourced from PubChem (CID 161329325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).