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

C120H121F3N18O14S — CID 161277152

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

8-(2-methoxy-4-methylsulfonylphenyl)-N-(4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)quinazolin-2-amine;3-methoxy-4-[2-[(4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)amino]quinazolin-8-yl]benzamide;[3-methoxy-4-[2-[(4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)amino]quinazolin-8-yl]phenyl]-morpholin-4-ylmethanone;4-[7-[[8-[2-methoxy-4-(trifluoromethyl)phenyl]quinazolin-2-yl]amino]-2,3-dihydro-1-benzofuran-4-yl]piperidin-3-ol (PubChem CID 161277152) has the molecular formula C120H121F3N18O14S and a molecular weight of 2128.46 g/mol. Its IUPAC name is 8-(2-methoxy-4-methylsulfonylphenyl)-N-(4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)quinazolin-2-amine;3-methoxy-4-[2-[(4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)amino]quinazolin-8-yl]benzamide;[3-methoxy-4-[2-[(4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)amino]quinazolin-8-yl]phenyl]-morpholin-4-ylmethanone;4-[7-[[8-[2-methoxy-4-(trifluoromethyl)phenyl]quinazolin-2-yl]amino]-2,3-dihydro-1-benzofuran-4-yl]piperidin-3-ol.

Molecular Properties

• Compound Name: 8-(2-methoxy-4-methylsulfonylphenyl)-N-(4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)quinazolin-2-amine;3-methoxy-4-[2-[(4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)amino]quinazolin-8-yl]benzamide;[3-methoxy-4-[2-[(4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)amino]quinazolin-8-yl]phenyl]-morpholin-4-ylmethanone;4-[7-[[8-[2-methoxy-4-(trifluoromethyl)phenyl]quinazolin-2-yl]amino]-2,3-dihydro-1-benzofuran-4-yl]piperidin-3-ol
• PubChem CID: 161277152
• Molecular Formula: C120H121F3N18O14S
• Molecular Weight: 2128.46 g/mol
• Exact Mass: 2126.90
• IUPAC Name: 8-(2-methoxy-4-methylsulfonylphenyl)-N-(4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)quinazolin-2-amine;3-methoxy-4-[2-[(4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)amino]quinazolin-8-yl]benzamide;[3-methoxy-4-[2-[(4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)amino]quinazolin-8-yl]phenyl]-morpholin-4-ylmethanone;4-[7-[[8-[2-methoxy-4-(trifluoromethyl)phenyl]quinazolin-2-yl]amino]-2,3-dihydro-1-benzofuran-4-yl]piperidin-3-ol
• SMILES: COc1cc(C(=O)N2CCOCC2)ccc1-c1cccc2cnc(Nc3ccc(C4CCNCC4)c4c3OCC4)nc12.COc1cc(C(F)(F)F)ccc1-c1cccc2cnc(Nc3ccc(C4CCNCC4O)c4c3OCC4)nc12.COc1cc(C(N)=O)ccc1-c1cccc2cnc(Nc3ccc(C4CCNCC4)c4c3OCC4)nc12.COc1cc(S(C)(=O)=O)ccc1-c1cccc2cnc(Nc3ccc(C4CCNCC4)c4c3OCC4)nc12
• InChI: InChI=1S/C33H35N5O4.C29H27F3N4O3.C29H29N5O3.C29H30N4O4S/c1-40-29-19-22(32(39)38-14-17-41-18-15-38)5-6-25(29)26-4-2-3-23-20-35-33(37-30(23)26)36-28-8-7-24(21-9-12-34-13-10-21)27-11-16-42-31(27)28;1-38-25-13-17(29(30,31)32)5-6-20(25)21-4-2-3-16-14-34-28(36-26(16)21)35-23-8-7-18(22-10-12-39-27(22)23)19-9-11-33-15-24(19)37;1-36-25-15-18(28(30)35)5-6-21(25)22-4-2-3-19-16-32-29(34-26(19)22)33-24-8-7-20(17-9-12-31-13-10-17)23-11-14-37-27(23)24;1-36-26-16-20(38(2,34)35)6-7-22(26)23-5-3-4-19-17-31-29(33-27(19)23)32-25-9-8-21(18-10-13-30-14-11-18)24-12-15-37-28(24)25/h2-8,19-21,34H,9-18H2,1H3,(H,35,36,37);2-8,13-14,19,24,33,37H,9-12,15H2,1H3,(H,34,35,36);2-8,15-17,31H,9-14H2,1H3,(H2,30,35)(H,32,33,34);3-9,16-18,30H,10-15H2,1-2H3,(H,31,32,33)
• InChIKey: VEOXBOYXCCDKBW-UHFFFAOYSA-N
• XLogP: 19.77
• TPSA: 400.20 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 30
• Rotatable Bonds: 23
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2128.46
LogP ≤ 5	19.77
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

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

The IUPAC name of 8-(2-methoxy-4-methylsulfonylphenyl)-N-(4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)quinazolin-2-amine;3-methoxy-4-[2-[(4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)amino]quinazolin-8-yl]benzamide;[3-methoxy-4-[2-[(4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)amino]quinazolin-8-yl]phenyl]-morpholin-4-ylmethanone;4-[7-[[8-[2-methoxy-4-(trifluoromethyl)phenyl]quinazolin-2-yl]amino]-2,3-dihydro-1-benzofuran-4-yl]piperidin-3-ol (CID 161277152) is 8-(2-methoxy-4-methylsulfonylphenyl)-N-(4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)quinazolin-2-amine;3-methoxy-4-[2-[(4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)amino]quinazolin-8-yl]benzamide;[3-methoxy-4-[2-[(4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)amino]quinazolin-8-yl]phenyl]-morpholin-4-ylmethanone;4-[7-[[8-[2-methoxy-4-(trifluoromethyl)phenyl]quinazolin-2-yl]amino]-2,3-dihydro-1-benzofuran-4-yl]piperidin-3-ol.

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

The canonical SMILES for 8-(2-methoxy-4-methylsulfonylphenyl)-N-(4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)quinazolin-2-amine;3-methoxy-4-[2-[(4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)amino]quinazolin-8-yl]benzamide;[3-methoxy-4-[2-[(4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)amino]quinazolin-8-yl]phenyl]-morpholin-4-ylmethanone;4-[7-[[8-[2-methoxy-4-(trifluoromethyl)phenyl]quinazolin-2-yl]amino]-2,3-dihydro-1-benzofuran-4-yl]piperidin-3-ol is COc1cc(C(=O)N2CCOCC2)ccc1-c1cccc2cnc(Nc3ccc(C4CCNCC4)c4c3OCC4)nc12.COc1cc(C(F)(F)F)ccc1-c1cccc2cnc(Nc3ccc(C4CCNCC4O)c4c3OCC4)nc12.COc1cc(C(N)=O)ccc1-c1cccc2cnc(Nc3ccc(C4CCNCC4)c4c3OCC4)nc12.COc1cc(S(C)(=O)=O)ccc1-c1cccc2cnc(Nc3ccc(C4CCNCC4)c4c3OCC4)nc12.

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

The InChIKey is VEOXBOYXCCDKBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H35N5O4.C29H27F3N4O3.C29H29N5O3.C29H30N4O4S/c1-40-29-19-22(32(39)38-14-17-41-18-15-38)5-6-25(29)26-4-2-3-23-20-35-33(37-30(23)26)36-28-8-7-24(21-9-12-34-13-10-21)27-11-16-42-31(27)28;1-38-25-13-17(29(30,31)32)5-6-20(25)21-4-2-3-16-14-34-28(36-26(16)21)35-23-8-7-18(22-10-12-39-27(22)23)19-9-11-33-15-24(19)37;1-36-25-15-18(28(30)35)5-6-21(25)22-4-2-3-19-16-32-29(34-26(19)22)33-24-8-7-20(17-9-12-31-13-10-17)23-11-14-37-27(23)24;1-36-26-16-20(38(2,34)35)6-7-22(26)23-5-3-4-19-17-31-29(33-27(19)23)32-25-9-8-21(18-10-13-30-14-11-18)24-12-15-37-28(24)25/h2-8,19-21,34H,9-18H2,1H3,(H,35,36,37);2-8,13-14,19,24,33,37H,9-12,15H2,1H3,(H,34,35,36);2-8,15-17,31H,9-14H2,1H3,(H2,30,35)(H,32,33,34);3-9,16-18,30H,10-15H2,1-2H3,(H,31,32,33).

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

8-(2-methoxy-4-methylsulfonylphenyl)-N-(4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)quinazolin-2-amine;3-methoxy-4-[2-[(4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)amino]quinazolin-8-yl]benzamide;[3-methoxy-4-[2-[(4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)amino]quinazolin-8-yl]phenyl]-morpholin-4-ylmethanone;4-[7-[[8-[2-methoxy-4-(trifluoromethyl)phenyl]quinazolin-2-yl]amino]-2,3-dihydro-1-benzofuran-4-yl]piperidin-3-ol has a molecular weight of 2128.46 g/mol, XLogP of 19.77, 23 rotatable bonds, 10 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(2-methoxy-4-methylsulfonylphenyl)-N-(4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)quinazolin-2-amine;3-methoxy-4-[2-[(4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)amino]quinazolin-8-yl]benzamide;[3-methoxy-4-[2-[(4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)amino]quinazolin-8-yl]phenyl]-morpholin-4-ylmethanone;4-[7-[[8-[2-methoxy-4-(trifluoromethyl)phenyl]quinazolin-2-yl]amino]-2,3-dihydro-1-benzofuran-4-yl]piperidin-3-ol is sourced from PubChem (CID 161277152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).