N-(4-cyclohexyl-2-methoxyphenyl)-8-(2-methoxyphenyl)quinazolin-2-amine;N-(2,2-dimethyl-4-piperidin-4-yl-3H-1-benzofuran-7-yl)-6-fluoro-8-(2-methoxyphenyl)quinazolin-2-amine;7-(2-methoxy-4-methylphenyl)-6-methyl-N-(4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)thieno[3,2-d]pyrimidin-2-amine;4-[7-[[7-(2-methoxy-4-methylphenyl)-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]-2,3-dihydro-1-benzofuran-4-yl]piperidin-3-ol;N-[2-[2-(2-methoxy-4-piperidin-4-ylanilino)quinazolin-8-yl]phenyl]-N-methylmethanesulfonamide

C142H151FN20O12S3 — CID 158236487

About N-(4-cyclohexyl-2-methoxyphenyl)-8-(2-methoxyphenyl)quinazolin-2-amine;N-(2,2-dimethyl-4-piperidin-4-yl-3H-1-benzofuran-7-yl)-6-fluoro-8-(2-methoxyphenyl)quinazolin-2-amine;7-(2-methoxy-4-methylphenyl)-6-methyl-N-(4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)thieno[3,2-d]pyrimidin-2-amine;4-[7-[[7-(2-methoxy-4-methylphenyl)-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]-2,3-dihydro-1-benzofuran-4-yl]piperidin-3-ol;N-[2-[2-(2-methoxy-4-piperidin-4-ylanilino)quinazolin-8-yl]phenyl]-N-methylmethanesulfonamide

N-(4-cyclohexyl-2-methoxyphenyl)-8-(2-methoxyphenyl)quinazolin-2-amine;N-(2,2-dimethyl-4-piperidin-4-yl-3H-1-benzofuran-7-yl)-6-fluoro-8-(2-methoxyphenyl)quinazolin-2-amine;7-(2-methoxy-4-methylphenyl)-6-methyl-N-(4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)thieno[3,2-d]pyrimidin-2-amine;4-[7-[[7-(2-methoxy-4-methylphenyl)-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]-2,3-dihydro-1-benzofuran-4-yl]piperidin-3-ol;N-[2-[2-(2-methoxy-4-piperidin-4-ylanilino)quinazolin-8-yl]phenyl]-N-methylmethanesulfonamide (PubChem CID 158236487) has the molecular formula C142H151FN20O12S3 and a molecular weight of 2445.10 g/mol. Its IUPAC name is N-(4-cyclohexyl-2-methoxyphenyl)-8-(2-methoxyphenyl)quinazolin-2-amine;N-(2,2-dimethyl-4-piperidin-4-yl-3H-1-benzofuran-7-yl)-6-fluoro-8-(2-methoxyphenyl)quinazolin-2-amine;7-(2-methoxy-4-methylphenyl)-6-methyl-N-(4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)thieno[3,2-d]pyrimidin-2-amine;4-[7-[[7-(2-methoxy-4-methylphenyl)-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]-2,3-dihydro-1-benzofuran-4-yl]piperidin-3-ol;N-[2-[2-(2-methoxy-4-piperidin-4-ylanilino)quinazolin-8-yl]phenyl]-N-methylmethanesulfonamide.

Molecular Properties

• Compound Name: N-(4-cyclohexyl-2-methoxyphenyl)-8-(2-methoxyphenyl)quinazolin-2-amine;N-(2,2-dimethyl-4-piperidin-4-yl-3H-1-benzofuran-7-yl)-6-fluoro-8-(2-methoxyphenyl)quinazolin-2-amine;7-(2-methoxy-4-methylphenyl)-6-methyl-N-(4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)thieno[3,2-d]pyrimidin-2-amine;4-[7-[[7-(2-methoxy-4-methylphenyl)-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]-2,3-dihydro-1-benzofuran-4-yl]piperidin-3-ol;N-[2-[2-(2-methoxy-4-piperidin-4-ylanilino)quinazolin-8-yl]phenyl]-N-methylmethanesulfonamide
• PubChem CID: 158236487
• Molecular Formula: C142H151FN20O12S3
• Molecular Weight: 2445.10 g/mol
• Exact Mass: 2443.10
• IUPAC Name: N-(4-cyclohexyl-2-methoxyphenyl)-8-(2-methoxyphenyl)quinazolin-2-amine;N-(2,2-dimethyl-4-piperidin-4-yl-3H-1-benzofuran-7-yl)-6-fluoro-8-(2-methoxyphenyl)quinazolin-2-amine;7-(2-methoxy-4-methylphenyl)-6-methyl-N-(4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)thieno[3,2-d]pyrimidin-2-amine;4-[7-[[7-(2-methoxy-4-methylphenyl)-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]-2,3-dihydro-1-benzofuran-4-yl]piperidin-3-ol;N-[2-[2-(2-methoxy-4-piperidin-4-ylanilino)quinazolin-8-yl]phenyl]-N-methylmethanesulfonamide
• SMILES: COc1cc(C)ccc1-c1c(C)sc2cnc(Nc3ccc(C4CCNCC4)c4c3OCC4)nc12.COc1cc(C)ccc1-c1c(C)sc2cnc(Nc3ccc(C4CCNCC4O)c4c3OCC4)nc12.COc1cc(C2CCCCC2)ccc1Nc1ncc2cccc(-c3ccccc3OC)c2n1.COc1cc(C2CCNCC2)ccc1Nc1ncc2cccc(-c3ccccc3N(C)S(C)(=O)=O)c2n1.COc1ccccc1-c1cc(F)cc2cnc(Nc3ccc(C4CCNCC4)c4c3OC(C)(C)C4)nc12
• InChI: InChI=1S/C30H31FN4O2.C28H31N5O3S.C28H30N4O3S.C28H30N4O2S.C28H29N3O2/c1-30(2)16-24-21(18-10-12-32-13-11-18)8-9-25(28(24)37-30)34-29-33-17-19-14-20(31)15-23(27(19)35-29)22-6-4-5-7-26(22)36-3;1-33(37(3,34)35)25-10-5-4-8-22(25)23-9-6-7-21-18-30-28(32-27(21)23)31-24-12-11-20(17-26(24)36-2)19-13-15-29-16-14-19;1-15-4-5-20(23(12-15)34-3)25-16(2)36-24-14-30-28(32-26(24)25)31-21-7-6-17(19-9-11-35-27(19)21)18-8-10-29-13-22(18)33;1-16-4-5-21(23(14-16)33-3)25-17(2)35-24-15-30-28(32-26(24)25)31-22-7-6-19(18-8-11-29-12-9-18)20-10-13-34-27(20)22;1-32-25-14-7-6-12-22(25)23-13-8-11-21-18-29-28(31-27(21)23)30-24-16-15-20(17-26(24)33-2)19-9-4-3-5-10-19/h4-9,14-15,17-18,32H,10-13,16H2,1-3H3,(H,33,34,35);4-12,17-19,29H,13-16H2,1-3H3,(H,30,31,32);4-7,12,14,18,22,29,33H,8-11,13H2,1-3H3,(H,30,31,32);4-7,14-15,18,29H,8-13H2,1-3H3,(H,30,31,32);6-8,11-19H,3-5,9-10H2,1-2H3,(H,29,30,31)
• InChIKey: GFAHJMCCRQJCPO-UHFFFAOYSA-N
• XLogP: 29.61
• TPSA: 377.85 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 33
• Rotatable Bonds: 28
• Heavy Atoms: 178
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2445.10
LogP ≤ 5	29.61
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	33

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclohexyl-2-methoxyphenyl)-8-(2-methoxyphenyl)quinazolin-2-amine;N-(2,2-dimethyl-4-piperidin-4-yl-3H-1-benzofuran-7-yl)-6-fluoro-8-(2-methoxyphenyl)quinazolin-2-amine;7-(2-methoxy-4-methylphenyl)-6-methyl-N-(4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)thieno[3,2-d]pyrimidin-2-amine;4-[7-[[7-(2-methoxy-4-methylphenyl)-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]-2,3-dihydro-1-benzofuran-4-yl]piperidin-3-ol;N-[2-[2-(2-methoxy-4-piperidin-4-ylanilino)quinazolin-8-yl]phenyl]-N-methylmethanesulfonamide?

The IUPAC name of N-(4-cyclohexyl-2-methoxyphenyl)-8-(2-methoxyphenyl)quinazolin-2-amine;N-(2,2-dimethyl-4-piperidin-4-yl-3H-1-benzofuran-7-yl)-6-fluoro-8-(2-methoxyphenyl)quinazolin-2-amine;7-(2-methoxy-4-methylphenyl)-6-methyl-N-(4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)thieno[3,2-d]pyrimidin-2-amine;4-[7-[[7-(2-methoxy-4-methylphenyl)-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]-2,3-dihydro-1-benzofuran-4-yl]piperidin-3-ol;N-[2-[2-(2-methoxy-4-piperidin-4-ylanilino)quinazolin-8-yl]phenyl]-N-methylmethanesulfonamide (CID 158236487) is N-(4-cyclohexyl-2-methoxyphenyl)-8-(2-methoxyphenyl)quinazolin-2-amine;N-(2,2-dimethyl-4-piperidin-4-yl-3H-1-benzofuran-7-yl)-6-fluoro-8-(2-methoxyphenyl)quinazolin-2-amine;7-(2-methoxy-4-methylphenyl)-6-methyl-N-(4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)thieno[3,2-d]pyrimidin-2-amine;4-[7-[[7-(2-methoxy-4-methylphenyl)-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]-2,3-dihydro-1-benzofuran-4-yl]piperidin-3-ol;N-[2-[2-(2-methoxy-4-piperidin-4-ylanilino)quinazolin-8-yl]phenyl]-N-methylmethanesulfonamide.

What is the SMILES notation for N-(4-cyclohexyl-2-methoxyphenyl)-8-(2-methoxyphenyl)quinazolin-2-amine;N-(2,2-dimethyl-4-piperidin-4-yl-3H-1-benzofuran-7-yl)-6-fluoro-8-(2-methoxyphenyl)quinazolin-2-amine;7-(2-methoxy-4-methylphenyl)-6-methyl-N-(4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)thieno[3,2-d]pyrimidin-2-amine;4-[7-[[7-(2-methoxy-4-methylphenyl)-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]-2,3-dihydro-1-benzofuran-4-yl]piperidin-3-ol;N-[2-[2-(2-methoxy-4-piperidin-4-ylanilino)quinazolin-8-yl]phenyl]-N-methylmethanesulfonamide?

The canonical SMILES for N-(4-cyclohexyl-2-methoxyphenyl)-8-(2-methoxyphenyl)quinazolin-2-amine;N-(2,2-dimethyl-4-piperidin-4-yl-3H-1-benzofuran-7-yl)-6-fluoro-8-(2-methoxyphenyl)quinazolin-2-amine;7-(2-methoxy-4-methylphenyl)-6-methyl-N-(4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)thieno[3,2-d]pyrimidin-2-amine;4-[7-[[7-(2-methoxy-4-methylphenyl)-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]-2,3-dihydro-1-benzofuran-4-yl]piperidin-3-ol;N-[2-[2-(2-methoxy-4-piperidin-4-ylanilino)quinazolin-8-yl]phenyl]-N-methylmethanesulfonamide is COc1cc(C)ccc1-c1c(C)sc2cnc(Nc3ccc(C4CCNCC4)c4c3OCC4)nc12.COc1cc(C)ccc1-c1c(C)sc2cnc(Nc3ccc(C4CCNCC4O)c4c3OCC4)nc12.COc1cc(C2CCCCC2)ccc1Nc1ncc2cccc(-c3ccccc3OC)c2n1.COc1cc(C2CCNCC2)ccc1Nc1ncc2cccc(-c3ccccc3N(C)S(C)(=O)=O)c2n1.COc1ccccc1-c1cc(F)cc2cnc(Nc3ccc(C4CCNCC4)c4c3OC(C)(C)C4)nc12.

What is the InChIKey of N-(4-cyclohexyl-2-methoxyphenyl)-8-(2-methoxyphenyl)quinazolin-2-amine;N-(2,2-dimethyl-4-piperidin-4-yl-3H-1-benzofuran-7-yl)-6-fluoro-8-(2-methoxyphenyl)quinazolin-2-amine;7-(2-methoxy-4-methylphenyl)-6-methyl-N-(4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)thieno[3,2-d]pyrimidin-2-amine;4-[7-[[7-(2-methoxy-4-methylphenyl)-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]-2,3-dihydro-1-benzofuran-4-yl]piperidin-3-ol;N-[2-[2-(2-methoxy-4-piperidin-4-ylanilino)quinazolin-8-yl]phenyl]-N-methylmethanesulfonamide?

The InChIKey is GFAHJMCCRQJCPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31FN4O2.C28H31N5O3S.C28H30N4O3S.C28H30N4O2S.C28H29N3O2/c1-30(2)16-24-21(18-10-12-32-13-11-18)8-9-25(28(24)37-30)34-29-33-17-19-14-20(31)15-23(27(19)35-29)22-6-4-5-7-26(22)36-3;1-33(37(3,34)35)25-10-5-4-8-22(25)23-9-6-7-21-18-30-28(32-27(21)23)31-24-12-11-20(17-26(24)36-2)19-13-15-29-16-14-19;1-15-4-5-20(23(12-15)34-3)25-16(2)36-24-14-30-28(32-26(24)25)31-21-7-6-17(19-9-11-35-27(19)21)18-8-10-29-13-22(18)33;1-16-4-5-21(23(14-16)33-3)25-17(2)35-24-15-30-28(32-26(24)25)31-22-7-6-19(18-8-11-29-12-9-18)20-10-13-34-27(20)22;1-32-25-14-7-6-12-22(25)23-13-8-11-21-18-29-28(31-27(21)23)30-24-16-15-20(17-26(24)33-2)19-9-4-3-5-10-19/h4-9,14-15,17-18,32H,10-13,16H2,1-3H3,(H,33,34,35);4-12,17-19,29H,13-16H2,1-3H3,(H,30,31,32);4-7,12,14,18,22,29,33H,8-11,13H2,1-3H3,(H,30,31,32);4-7,14-15,18,29H,8-13H2,1-3H3,(H,30,31,32);6-8,11-19H,3-5,9-10H2,1-2H3,(H,29,30,31).

What are the key properties of N-(4-cyclohexyl-2-methoxyphenyl)-8-(2-methoxyphenyl)quinazolin-2-amine;N-(2,2-dimethyl-4-piperidin-4-yl-3H-1-benzofuran-7-yl)-6-fluoro-8-(2-methoxyphenyl)quinazolin-2-amine;7-(2-methoxy-4-methylphenyl)-6-methyl-N-(4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)thieno[3,2-d]pyrimidin-2-amine;4-[7-[[7-(2-methoxy-4-methylphenyl)-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]-2,3-dihydro-1-benzofuran-4-yl]piperidin-3-ol;N-[2-[2-(2-methoxy-4-piperidin-4-ylanilino)quinazolin-8-yl]phenyl]-N-methylmethanesulfonamide?

N-(4-cyclohexyl-2-methoxyphenyl)-8-(2-methoxyphenyl)quinazolin-2-amine;N-(2,2-dimethyl-4-piperidin-4-yl-3H-1-benzofuran-7-yl)-6-fluoro-8-(2-methoxyphenyl)quinazolin-2-amine;7-(2-methoxy-4-methylphenyl)-6-methyl-N-(4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)thieno[3,2-d]pyrimidin-2-amine;4-[7-[[7-(2-methoxy-4-methylphenyl)-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]-2,3-dihydro-1-benzofuran-4-yl]piperidin-3-ol;N-[2-[2-(2-methoxy-4-piperidin-4-ylanilino)quinazolin-8-yl]phenyl]-N-methylmethanesulfonamide has a molecular weight of 2445.10 g/mol, XLogP of 29.61, 28 rotatable bonds, 10 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-cyclohexyl-2-methoxyphenyl)-8-(2-methoxyphenyl)quinazolin-2-amine;N-(2,2-dimethyl-4-piperidin-4-yl-3H-1-benzofuran-7-yl)-6-fluoro-8-(2-methoxyphenyl)quinazolin-2-amine;7-(2-methoxy-4-methylphenyl)-6-methyl-N-(4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)thieno[3,2-d]pyrimidin-2-amine;4-[7-[[7-(2-methoxy-4-methylphenyl)-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]-2,3-dihydro-1-benzofuran-4-yl]piperidin-3-ol;N-[2-[2-(2-methoxy-4-piperidin-4-ylanilino)quinazolin-8-yl]phenyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 158236487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).