7-[[8-(4-fluoro-2-methoxyphenyl)quinazolin-2-yl]amino]-N-piperidin-4-yl-2,3-dihydro-1-benzofuran-4-carboxamide;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;7-[[8-[2-methoxy-4-(trifluoromethyl)phenyl]quinazolin-2-yl]amino]-N-piperidin-4-yl-2,3-dihydro-1-benzofuran-4-carboxamide

C143H134F10N22O16S — CID 157419608

About 7-[[8-(4-fluoro-2-methoxyphenyl)quinazolin-2-yl]amino]-N-piperidin-4-yl-2,3-dihydro-1-benzofuran-4-carboxamide;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;7-[[8-[2-methoxy-4-(trifluoromethyl)phenyl]quinazolin-2-yl]amino]-N-piperidin-4-yl-2,3-dihydro-1-benzofuran-4-carboxamide

7-[[8-(4-fluoro-2-methoxyphenyl)quinazolin-2-yl]amino]-N-piperidin-4-yl-2,3-dihydro-1-benzofuran-4-carboxamide;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;7-[[8-[2-methoxy-4-(trifluoromethyl)phenyl]quinazolin-2-yl]amino]-N-piperidin-4-yl-2,3-dihydro-1-benzofuran-4-carboxamide (PubChem CID 157419608) has the molecular formula C143H134F10N22O16S and a molecular weight of 2638.83 g/mol. Its IUPAC name is 7-[[8-(4-fluoro-2-methoxyphenyl)quinazolin-2-yl]amino]-N-piperidin-4-yl-2,3-dihydro-1-benzofuran-4-carboxamide;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;7-[[8-[2-methoxy-4-(trifluoromethyl)phenyl]quinazolin-2-yl]amino]-N-piperidin-4-yl-2,3-dihydro-1-benzofuran-4-carboxamide.

Molecular Properties

• Compound Name: 7-[[8-(4-fluoro-2-methoxyphenyl)quinazolin-2-yl]amino]-N-piperidin-4-yl-2,3-dihydro-1-benzofuran-4-carboxamide;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;7-[[8-[2-methoxy-4-(trifluoromethyl)phenyl]quinazolin-2-yl]amino]-N-piperidin-4-yl-2,3-dihydro-1-benzofuran-4-carboxamide
• PubChem CID: 157419608
• Molecular Formula: C143H134F10N22O16S
• Molecular Weight: 2638.83 g/mol
• Exact Mass: 2636.99
• IUPAC Name: 7-[[8-(4-fluoro-2-methoxyphenyl)quinazolin-2-yl]amino]-N-piperidin-4-yl-2,3-dihydro-1-benzofuran-4-carboxamide;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;7-[[8-[2-methoxy-4-(trifluoromethyl)phenyl]quinazolin-2-yl]amino]-N-piperidin-4-yl-2,3-dihydro-1-benzofuran-4-carboxamide
• SMILES: COc1cc(C(F)(F)F)ccc1-c1cccc2cnc(Nc3ccc(C(=O)NC4CCNCC4)c4c3OCC4)nc12.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(F)ccc1-c1cccc2cnc(Nc3ccc(C(=O)NC4CCNCC4)c4c3OCC4)nc12.COc1cc(S(C)(=O)=O)ccc1-c1cccc2cnc(Nc3ccc(C(N)=O)c4c3OCC4)nc12
• InChI: InChI=1S/C30H28F3N5O3.C30H29F3N4O2.C29H27F3N4O3.C29H28FN5O3.C25H22N4O5S/c1-40-25-15-18(30(31,32)33)5-6-20(25)21-4-2-3-17-16-35-29(38-26(17)21)37-24-8-7-23(22-11-14-41-27(22)24)28(39)36-19-9-12-34-13-10-19;1-17-14-24-21(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;1-38-24-15-18(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;1-37-25-15-18(30)5-6-20(25)21-4-2-3-17-16-32-29(35-26(17)21)34-24-8-7-23(22-11-14-38-27(22)24)28(36)33-19-9-12-31-13-10-19;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/h2-8,15-16,19,34H,9-14H2,1H3,(H,36,39)(H,35,37,38);3-9,15-18,34H,10-14H2,1-2H3,(H,35,36,37);2-8,15-16,33,37H,9-14H2,1H3,(H,34,35,36);2-8,15-16,19,31H,9-14H2,1H3,(H,33,36)(H,32,34,35);3-9,12-13H,10-11H2,1-2H3,(H2,26,30)(H,27,28,29)/t;17-;;;/m.1.../s1
• InChIKey: BPGFGJCEIRXXCP-DOKKIWBJSA-N
• XLogP: 26.01
• TPSA: 485.13 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 35
• Rotatable Bonds: 28
• Heavy Atoms: 192
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2638.83
LogP ≤ 5	26.01
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	35

Frequently Asked Questions

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

The IUPAC name of 7-[[8-(4-fluoro-2-methoxyphenyl)quinazolin-2-yl]amino]-N-piperidin-4-yl-2,3-dihydro-1-benzofuran-4-carboxamide;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;7-[[8-[2-methoxy-4-(trifluoromethyl)phenyl]quinazolin-2-yl]amino]-N-piperidin-4-yl-2,3-dihydro-1-benzofuran-4-carboxamide (CID 157419608) is 7-[[8-(4-fluoro-2-methoxyphenyl)quinazolin-2-yl]amino]-N-piperidin-4-yl-2,3-dihydro-1-benzofuran-4-carboxamide;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;7-[[8-[2-methoxy-4-(trifluoromethyl)phenyl]quinazolin-2-yl]amino]-N-piperidin-4-yl-2,3-dihydro-1-benzofuran-4-carboxamide.

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

The canonical SMILES for 7-[[8-(4-fluoro-2-methoxyphenyl)quinazolin-2-yl]amino]-N-piperidin-4-yl-2,3-dihydro-1-benzofuran-4-carboxamide;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;7-[[8-[2-methoxy-4-(trifluoromethyl)phenyl]quinazolin-2-yl]amino]-N-piperidin-4-yl-2,3-dihydro-1-benzofuran-4-carboxamide is COc1cc(C(F)(F)F)ccc1-c1cccc2cnc(Nc3ccc(C(=O)NC4CCNCC4)c4c3OCC4)nc12.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(F)ccc1-c1cccc2cnc(Nc3ccc(C(=O)NC4CCNCC4)c4c3OCC4)nc12.COc1cc(S(C)(=O)=O)ccc1-c1cccc2cnc(Nc3ccc(C(N)=O)c4c3OCC4)nc12.

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

The InChIKey is BPGFGJCEIRXXCP-DOKKIWBJSA-N. The full InChI is InChI=1S/C30H28F3N5O3.C30H29F3N4O2.C29H27F3N4O3.C29H28FN5O3.C25H22N4O5S/c1-40-25-15-18(30(31,32)33)5-6-20(25)21-4-2-3-17-16-35-29(38-26(17)21)37-24-8-7-23(22-11-14-41-27(22)24)28(39)36-19-9-12-34-13-10-19;1-17-14-24-21(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;1-38-24-15-18(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;1-37-25-15-18(30)5-6-20(25)21-4-2-3-17-16-32-29(35-26(17)21)34-24-8-7-23(22-11-14-38-27(22)24)28(36)33-19-9-12-31-13-10-19;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/h2-8,15-16,19,34H,9-14H2,1H3,(H,36,39)(H,35,37,38);3-9,15-18,34H,10-14H2,1-2H3,(H,35,36,37);2-8,15-16,33,37H,9-14H2,1H3,(H,34,35,36);2-8,15-16,19,31H,9-14H2,1H3,(H,33,36)(H,32,34,35);3-9,12-13H,10-11H2,1-2H3,(H2,26,30)(H,27,28,29)/t;17-;;;/m.1.../s1.

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

7-[[8-(4-fluoro-2-methoxyphenyl)quinazolin-2-yl]amino]-N-piperidin-4-yl-2,3-dihydro-1-benzofuran-4-carboxamide;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;7-[[8-[2-methoxy-4-(trifluoromethyl)phenyl]quinazolin-2-yl]amino]-N-piperidin-4-yl-2,3-dihydro-1-benzofuran-4-carboxamide has a molecular weight of 2638.83 g/mol, XLogP of 26.01, 28 rotatable bonds, 13 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[[8-(4-fluoro-2-methoxyphenyl)quinazolin-2-yl]amino]-N-piperidin-4-yl-2,3-dihydro-1-benzofuran-4-carboxamide;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;7-[[8-[2-methoxy-4-(trifluoromethyl)phenyl]quinazolin-2-yl]amino]-N-piperidin-4-yl-2,3-dihydro-1-benzofuran-4-carboxamide is sourced from PubChem (CID 157419608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).