sodium;acetic acid;2-amino-4-fluorobenzoic acid;(E)-N-[4-[3-chloro-N-[(3,4-dimethoxyphenyl)methyl]-4-fluoroanilino]-7-methoxyquinazolin-6-yl]-4-piperidin-1-ylbut-2-enamide;(E)-N-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]-4-piperidin-1-ylbut-2-enamide;4-chloro-7-fluoro-N-hydroperoxyquinazolin-6-amine;4-N-(3-chloro-4-fluorophenyl)-4-N-[(3,4-dimethoxyphenyl)methyl]-7-fluoro-6-N-hydroperoxyquinazoline-4,6-diamine;4-N-(3-chloro-4-fluorophenyl)-4-N-[(3,4-dimethoxyphenyl)methyl]-6-N-hydroperoxy-7-methoxyquinazoline-4,6-diamine;4-N-(3-chloro-4-fluorophenyl)-4-N-[(3,4-dimethoxyphenyl)methyl]-7-methoxyquinazoline-4,6-diamine;7-fluoro-6-(hydroperoxyamino)-3H-quinazolin-4-one;7-fluoro-3H-quinazolin-4-one;methane;methanimidamide;methanolate;propan-2-ol;thionyl dichloride;2,2,2-trifluoroacetaldehyde

C170H173Cl8F13N33NaO32S — CID 158917448

About sodium;acetic acid;2-amino-4-fluorobenzoic acid;(E)-N-[4-[3-chloro-N-[(3,4-dimethoxyphenyl)methyl]-4-fluoroanilino]-7-methoxyquinazolin-6-yl]-4-piperidin-1-ylbut-2-enamide;(E)-N-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]-4-piperidin-1-ylbut-2-enamide;4-chloro-7-fluoro-N-hydroperoxyquinazolin-6-amine;4-N-(3-chloro-4-fluorophenyl)-4-N-[(3,4-dimethoxyphenyl)methyl]-7-fluoro-6-N-hydroperoxyquinazoline-4,6-diamine;4-N-(3-chloro-4-fluorophenyl)-4-N-[(3,4-dimethoxyphenyl)methyl]-6-N-hydroperoxy-7-methoxyquinazoline-4,6-diamine;4-N-(3-chloro-4-fluorophenyl)-4-N-[(3,4-dimethoxyphenyl)methyl]-7-methoxyquinazoline-4,6-diamine;7-fluoro-6-(hydroperoxyamino)-3H-quinazolin-4-one;7-fluoro-3H-quinazolin-4-one;methane;methanimidamide;methanolate;propan-2-ol;thionyl dichloride;2,2,2-trifluoroacetaldehyde

sodium;acetic acid;2-amino-4-fluorobenzoic acid;(E)-N-[4-[3-chloro-N-[(3,4-dimethoxyphenyl)methyl]-4-fluoroanilino]-7-methoxyquinazolin-6-yl]-4-piperidin-1-ylbut-2-enamide;(E)-N-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]-4-piperidin-1-ylbut-2-enamide;4-chloro-7-fluoro-N-hydroperoxyquinazolin-6-amine;4-N-(3-chloro-4-fluorophenyl)-4-N-[(3,4-dimethoxyphenyl)methyl]-7-fluoro-6-N-hydroperoxyquinazoline-4,6-diamine;4-N-(3-chloro-4-fluorophenyl)-4-N-[(3,4-dimethoxyphenyl)methyl]-6-N-hydroperoxy-7-methoxyquinazoline-4,6-diamine;4-N-(3-chloro-4-fluorophenyl)-4-N-[(3,4-dimethoxyphenyl)methyl]-7-methoxyquinazoline-4,6-diamine;7-fluoro-6-(hydroperoxyamino)-3H-quinazolin-4-one;7-fluoro-3H-quinazolin-4-one;methane;methanimidamide;methanolate;propan-2-ol;thionyl dichloride;2,2,2-trifluoroacetaldehyde (PubChem CID 158917448) has the molecular formula C170H173Cl8F13N33NaO32S and a molecular weight of 3776.11 g/mol. Its IUPAC name is sodium;acetic acid;2-amino-4-fluorobenzoic acid;(E)-N-[4-[3-chloro-N-[(3,4-dimethoxyphenyl)methyl]-4-fluoroanilino]-7-methoxyquinazolin-6-yl]-4-piperidin-1-ylbut-2-enamide;(E)-N-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]-4-piperidin-1-ylbut-2-enamide;4-chloro-7-fluoro-N-hydroperoxyquinazolin-6-amine;4-N-(3-chloro-4-fluorophenyl)-4-N-[(3,4-dimethoxyphenyl)methyl]-7-fluoro-6-N-hydroperoxyquinazoline-4,6-diamine;4-N-(3-chloro-4-fluorophenyl)-4-N-[(3,4-dimethoxyphenyl)methyl]-6-N-hydroperoxy-7-methoxyquinazoline-4,6-diamine;4-N-(3-chloro-4-fluorophenyl)-4-N-[(3,4-dimethoxyphenyl)methyl]-7-methoxyquinazoline-4,6-diamine;7-fluoro-6-(hydroperoxyamino)-3H-quinazolin-4-one;7-fluoro-3H-quinazolin-4-one;methane;methanimidamide;methanolate;propan-2-ol;thionyl dichloride;2,2,2-trifluoroacetaldehyde.

Molecular Properties

• Compound Name: sodium;acetic acid;2-amino-4-fluorobenzoic acid;(E)-N-[4-[3-chloro-N-[(3,4-dimethoxyphenyl)methyl]-4-fluoroanilino]-7-methoxyquinazolin-6-yl]-4-piperidin-1-ylbut-2-enamide;(E)-N-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]-4-piperidin-1-ylbut-2-enamide;4-chloro-7-fluoro-N-hydroperoxyquinazolin-6-amine;4-N-(3-chloro-4-fluorophenyl)-4-N-[(3,4-dimethoxyphenyl)methyl]-7-fluoro-6-N-hydroperoxyquinazoline-4,6-diamine;4-N-(3-chloro-4-fluorophenyl)-4-N-[(3,4-dimethoxyphenyl)methyl]-6-N-hydroperoxy-7-methoxyquinazoline-4,6-diamine;4-N-(3-chloro-4-fluorophenyl)-4-N-[(3,4-dimethoxyphenyl)methyl]-7-methoxyquinazoline-4,6-diamine;7-fluoro-6-(hydroperoxyamino)-3H-quinazolin-4-one;7-fluoro-3H-quinazolin-4-one;methane;methanimidamide;methanolate;propan-2-ol;thionyl dichloride;2,2,2-trifluoroacetaldehyde
• PubChem CID: 158917448
• Molecular Formula: C170H173Cl8F13N33NaO32S
• Molecular Weight: 3776.11 g/mol
• Exact Mass: 3769.98
• IUPAC Name: sodium;acetic acid;2-amino-4-fluorobenzoic acid;(E)-N-[4-[3-chloro-N-[(3,4-dimethoxyphenyl)methyl]-4-fluoroanilino]-7-methoxyquinazolin-6-yl]-4-piperidin-1-ylbut-2-enamide;(E)-N-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]-4-piperidin-1-ylbut-2-enamide;4-chloro-7-fluoro-N-hydroperoxyquinazolin-6-amine;4-N-(3-chloro-4-fluorophenyl)-4-N-[(3,4-dimethoxyphenyl)methyl]-7-fluoro-6-N-hydroperoxyquinazoline-4,6-diamine;4-N-(3-chloro-4-fluorophenyl)-4-N-[(3,4-dimethoxyphenyl)methyl]-6-N-hydroperoxy-7-methoxyquinazoline-4,6-diamine;4-N-(3-chloro-4-fluorophenyl)-4-N-[(3,4-dimethoxyphenyl)methyl]-7-methoxyquinazoline-4,6-diamine;7-fluoro-6-(hydroperoxyamino)-3H-quinazolin-4-one;7-fluoro-3H-quinazolin-4-one;methane;methanimidamide;methanolate;propan-2-ol;thionyl dichloride;2,2,2-trifluoroacetaldehyde
• SMILES: C.C.CC(=O)O.CC(C)O.COc1cc2ncnc(N(Cc3ccc(OC)c(OC)c3)c3ccc(F)c(Cl)c3)c2cc1N.COc1cc2ncnc(N(Cc3ccc(OC)c(OC)c3)c3ccc(F)c(Cl)c3)c2cc1NC(=O)/C=C/CN1CCCCC1.COc1cc2ncnc(N(Cc3ccc(OC)c(OC)c3)c3ccc(F)c(Cl)c3)c2cc1NOO.COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)/C=C/CN1CCCCC1.COc1ccc(CN(c2ccc(F)c(Cl)c2)c2ncnc3cc(F)c(NOO)cc23)cc1OC.C[O-].Nc1cc(F)ccc1C(=O)O.O=CC(F)(F)F.O=S(Cl)Cl.O=c1[nH]cnc2cc(F)c(NOO)cc12.O=c1[nH]cnc2cc(F)ccc12.OONc1cc2c(Cl)ncnc2cc1F.[H]/N=C/N.[Na+]
• InChI: InChI=1S/C33H35ClFN5O4.C24H25ClFN5O2.C24H22ClFN4O5.C24H22ClFN4O3.C23H19ClF2N4O4.C8H5ClFN3O2.C8H6FN3O3.C8H5FN2O.C7H6FNO2.C3H8O.C2HF3O.C2H4O2.CH4N2.CH3O.2CH4.Cl2OS.Na/c1-42-29-12-9-22(16-31(29)44-3)20-40(23-10-11-26(35)25(34)17-23)33-24-18-28(30(43-2)19-27(24)36-21-37-33)38-32(41)8-7-15-39-13-5-4-6-14-39;1-33-22-14-20-17(24(28-15-27-20)29-16-7-8-19(26)18(25)12-16)13-21(22)30-23(32)6-5-11-31-9-3-2-4-10-31;1-32-21-7-4-14(8-23(21)34-3)12-30(15-5-6-18(26)17(25)9-15)24-16-10-20(29-35-31)22(33-2)11-19(16)27-13-28-24;1-31-21-7-4-14(8-23(21)33-3)12-30(15-5-6-18(26)17(25)9-15)24-16-10-19(27)22(32-2)11-20(16)28-13-29-24;1-32-21-6-3-13(7-22(21)33-2)11-30(14-4-5-17(25)16(24)8-14)23-15-9-20(29-34-31)18(26)10-19(15)27-12-28-23;9-8-4-1-7(13-15-14)5(10)2-6(4)11-3-12-8;9-5-2-6-4(1-7(5)12-15-14)8(13)11-3-10-6;9-5-1-2-6-7(3-5)10-4-11-8(6)12;8-4-1-2-5(7(10)11)6(9)3-4;1-3(2)4;3-2(4,5)1-6;1-2(3)4;2-1-3;1-2;;;1-4(2)3;/h7-12,16-19,21H,4-6,13-15,20H2,1-3H3,(H,38,41);5-8,12-15H,2-4,9-11H2,1H3,(H,30,32)(H,27,28,29);4-11,13,29,31H,12H2,1-3H3;4-11,13H,12,27H2,1-3H3;3-10,12,29,31H,11H2,1-2H3;1-3,13-14H;1-3,12,14H,(H,10,11,13);1-4H,(H,10,11,12);1-3H,9H2,(H,10,11);3-4H,1-2H3;1H;1H3,(H,3,4);1H,(H3,2,3);1H3;2*1H4;;/q;;;;;;;;;;;;;-1;;;;+1/b8-7+;6-5+
• InChIKey: OCFPIWJDFGJGQW-IRHQPHGJSA-N
• XLogP: 32.99
• TPSA: 866.51 Ų
• H-Bond Donors: 20
• H-Bond Acceptors: 58
• Rotatable Bonds: 47
• Heavy Atoms: 258
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3776.11
LogP ≤ 5	32.99
H-Bond Donors ≤ 5	20
H-Bond Acceptors ≤ 10	58

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of sodium;acetic acid;2-amino-4-fluorobenzoic acid;(E)-N-[4-[3-chloro-N-[(3,4-dimethoxyphenyl)methyl]-4-fluoroanilino]-7-methoxyquinazolin-6-yl]-4-piperidin-1-ylbut-2-enamide;(E)-N-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]-4-piperidin-1-ylbut-2-enamide;4-chloro-7-fluoro-N-hydroperoxyquinazolin-6-amine;4-N-(3-chloro-4-fluorophenyl)-4-N-[(3,4-dimethoxyphenyl)methyl]-7-fluoro-6-N-hydroperoxyquinazoline-4,6-diamine;4-N-(3-chloro-4-fluorophenyl)-4-N-[(3,4-dimethoxyphenyl)methyl]-6-N-hydroperoxy-7-methoxyquinazoline-4,6-diamine;4-N-(3-chloro-4-fluorophenyl)-4-N-[(3,4-dimethoxyphenyl)methyl]-7-methoxyquinazoline-4,6-diamine;7-fluoro-6-(hydroperoxyamino)-3H-quinazolin-4-one;7-fluoro-3H-quinazolin-4-one;methane;methanimidamide;methanolate;propan-2-ol;thionyl dichloride;2,2,2-trifluoroacetaldehyde?

The IUPAC name of sodium;acetic acid;2-amino-4-fluorobenzoic acid;(E)-N-[4-[3-chloro-N-[(3,4-dimethoxyphenyl)methyl]-4-fluoroanilino]-7-methoxyquinazolin-6-yl]-4-piperidin-1-ylbut-2-enamide;(E)-N-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]-4-piperidin-1-ylbut-2-enamide;4-chloro-7-fluoro-N-hydroperoxyquinazolin-6-amine;4-N-(3-chloro-4-fluorophenyl)-4-N-[(3,4-dimethoxyphenyl)methyl]-7-fluoro-6-N-hydroperoxyquinazoline-4,6-diamine;4-N-(3-chloro-4-fluorophenyl)-4-N-[(3,4-dimethoxyphenyl)methyl]-6-N-hydroperoxy-7-methoxyquinazoline-4,6-diamine;4-N-(3-chloro-4-fluorophenyl)-4-N-[(3,4-dimethoxyphenyl)methyl]-7-methoxyquinazoline-4,6-diamine;7-fluoro-6-(hydroperoxyamino)-3H-quinazolin-4-one;7-fluoro-3H-quinazolin-4-one;methane;methanimidamide;methanolate;propan-2-ol;thionyl dichloride;2,2,2-trifluoroacetaldehyde (CID 158917448) is sodium;acetic acid;2-amino-4-fluorobenzoic acid;(E)-N-[4-[3-chloro-N-[(3,4-dimethoxyphenyl)methyl]-4-fluoroanilino]-7-methoxyquinazolin-6-yl]-4-piperidin-1-ylbut-2-enamide;(E)-N-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]-4-piperidin-1-ylbut-2-enamide;4-chloro-7-fluoro-N-hydroperoxyquinazolin-6-amine;4-N-(3-chloro-4-fluorophenyl)-4-N-[(3,4-dimethoxyphenyl)methyl]-7-fluoro-6-N-hydroperoxyquinazoline-4,6-diamine;4-N-(3-chloro-4-fluorophenyl)-4-N-[(3,4-dimethoxyphenyl)methyl]-6-N-hydroperoxy-7-methoxyquinazoline-4,6-diamine;4-N-(3-chloro-4-fluorophenyl)-4-N-[(3,4-dimethoxyphenyl)methyl]-7-methoxyquinazoline-4,6-diamine;7-fluoro-6-(hydroperoxyamino)-3H-quinazolin-4-one;7-fluoro-3H-quinazolin-4-one;methane;methanimidamide;methanolate;propan-2-ol;thionyl dichloride;2,2,2-trifluoroacetaldehyde.

What is the SMILES notation for sodium;acetic acid;2-amino-4-fluorobenzoic acid;(E)-N-[4-[3-chloro-N-[(3,4-dimethoxyphenyl)methyl]-4-fluoroanilino]-7-methoxyquinazolin-6-yl]-4-piperidin-1-ylbut-2-enamide;(E)-N-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]-4-piperidin-1-ylbut-2-enamide;4-chloro-7-fluoro-N-hydroperoxyquinazolin-6-amine;4-N-(3-chloro-4-fluorophenyl)-4-N-[(3,4-dimethoxyphenyl)methyl]-7-fluoro-6-N-hydroperoxyquinazoline-4,6-diamine;4-N-(3-chloro-4-fluorophenyl)-4-N-[(3,4-dimethoxyphenyl)methyl]-6-N-hydroperoxy-7-methoxyquinazoline-4,6-diamine;4-N-(3-chloro-4-fluorophenyl)-4-N-[(3,4-dimethoxyphenyl)methyl]-7-methoxyquinazoline-4,6-diamine;7-fluoro-6-(hydroperoxyamino)-3H-quinazolin-4-one;7-fluoro-3H-quinazolin-4-one;methane;methanimidamide;methanolate;propan-2-ol;thionyl dichloride;2,2,2-trifluoroacetaldehyde?

The canonical SMILES for sodium;acetic acid;2-amino-4-fluorobenzoic acid;(E)-N-[4-[3-chloro-N-[(3,4-dimethoxyphenyl)methyl]-4-fluoroanilino]-7-methoxyquinazolin-6-yl]-4-piperidin-1-ylbut-2-enamide;(E)-N-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]-4-piperidin-1-ylbut-2-enamide;4-chloro-7-fluoro-N-hydroperoxyquinazolin-6-amine;4-N-(3-chloro-4-fluorophenyl)-4-N-[(3,4-dimethoxyphenyl)methyl]-7-fluoro-6-N-hydroperoxyquinazoline-4,6-diamine;4-N-(3-chloro-4-fluorophenyl)-4-N-[(3,4-dimethoxyphenyl)methyl]-6-N-hydroperoxy-7-methoxyquinazoline-4,6-diamine;4-N-(3-chloro-4-fluorophenyl)-4-N-[(3,4-dimethoxyphenyl)methyl]-7-methoxyquinazoline-4,6-diamine;7-fluoro-6-(hydroperoxyamino)-3H-quinazolin-4-one;7-fluoro-3H-quinazolin-4-one;methane;methanimidamide;methanolate;propan-2-ol;thionyl dichloride;2,2,2-trifluoroacetaldehyde is C.C.CC(=O)O.CC(C)O.COc1cc2ncnc(N(Cc3ccc(OC)c(OC)c3)c3ccc(F)c(Cl)c3)c2cc1N.COc1cc2ncnc(N(Cc3ccc(OC)c(OC)c3)c3ccc(F)c(Cl)c3)c2cc1NC(=O)/C=C/CN1CCCCC1.COc1cc2ncnc(N(Cc3ccc(OC)c(OC)c3)c3ccc(F)c(Cl)c3)c2cc1NOO.COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)/C=C/CN1CCCCC1.COc1ccc(CN(c2ccc(F)c(Cl)c2)c2ncnc3cc(F)c(NOO)cc23)cc1OC.C[O-].Nc1cc(F)ccc1C(=O)O.O=CC(F)(F)F.O=S(Cl)Cl.O=c1[nH]cnc2cc(F)c(NOO)cc12.O=c1[nH]cnc2cc(F)ccc12.OONc1cc2c(Cl)ncnc2cc1F.[H]/N=C/N.[Na+].

What is the InChIKey of sodium;acetic acid;2-amino-4-fluorobenzoic acid;(E)-N-[4-[3-chloro-N-[(3,4-dimethoxyphenyl)methyl]-4-fluoroanilino]-7-methoxyquinazolin-6-yl]-4-piperidin-1-ylbut-2-enamide;(E)-N-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]-4-piperidin-1-ylbut-2-enamide;4-chloro-7-fluoro-N-hydroperoxyquinazolin-6-amine;4-N-(3-chloro-4-fluorophenyl)-4-N-[(3,4-dimethoxyphenyl)methyl]-7-fluoro-6-N-hydroperoxyquinazoline-4,6-diamine;4-N-(3-chloro-4-fluorophenyl)-4-N-[(3,4-dimethoxyphenyl)methyl]-6-N-hydroperoxy-7-methoxyquinazoline-4,6-diamine;4-N-(3-chloro-4-fluorophenyl)-4-N-[(3,4-dimethoxyphenyl)methyl]-7-methoxyquinazoline-4,6-diamine;7-fluoro-6-(hydroperoxyamino)-3H-quinazolin-4-one;7-fluoro-3H-quinazolin-4-one;methane;methanimidamide;methanolate;propan-2-ol;thionyl dichloride;2,2,2-trifluoroacetaldehyde?

The InChIKey is OCFPIWJDFGJGQW-IRHQPHGJSA-N. The full InChI is InChI=1S/C33H35ClFN5O4.C24H25ClFN5O2.C24H22ClFN4O5.C24H22ClFN4O3.C23H19ClF2N4O4.C8H5ClFN3O2.C8H6FN3O3.C8H5FN2O.C7H6FNO2.C3H8O.C2HF3O.C2H4O2.CH4N2.CH3O.2CH4.Cl2OS.Na/c1-42-29-12-9-22(16-31(29)44-3)20-40(23-10-11-26(35)25(34)17-23)33-24-18-28(30(43-2)19-27(24)36-21-37-33)38-32(41)8-7-15-39-13-5-4-6-14-39;1-33-22-14-20-17(24(28-15-27-20)29-16-7-8-19(26)18(25)12-16)13-21(22)30-23(32)6-5-11-31-9-3-2-4-10-31;1-32-21-7-4-14(8-23(21)34-3)12-30(15-5-6-18(26)17(25)9-15)24-16-10-20(29-35-31)22(33-2)11-19(16)27-13-28-24;1-31-21-7-4-14(8-23(21)33-3)12-30(15-5-6-18(26)17(25)9-15)24-16-10-19(27)22(32-2)11-20(16)28-13-29-24;1-32-21-6-3-13(7-22(21)33-2)11-30(14-4-5-17(25)16(24)8-14)23-15-9-20(29-34-31)18(26)10-19(15)27-12-28-23;9-8-4-1-7(13-15-14)5(10)2-6(4)11-3-12-8;9-5-2-6-4(1-7(5)12-15-14)8(13)11-3-10-6;9-5-1-2-6-7(3-5)10-4-11-8(6)12;8-4-1-2-5(7(10)11)6(9)3-4;1-3(2)4;3-2(4,5)1-6;1-2(3)4;2-1-3;1-2;;;1-4(2)3;/h7-12,16-19,21H,4-6,13-15,20H2,1-3H3,(H,38,41);5-8,12-15H,2-4,9-11H2,1H3,(H,30,32)(H,27,28,29);4-11,13,29,31H,12H2,1-3H3;4-11,13H,12,27H2,1-3H3;3-10,12,29,31H,11H2,1-2H3;1-3,13-14H;1-3,12,14H,(H,10,11,13);1-4H,(H,10,11,12);1-3H,9H2,(H,10,11);3-4H,1-2H3;1H;1H3,(H,3,4);1H,(H3,2,3);1H3;2*1H4;;/q;;;;;;;;;;;;;-1;;;;+1/b8-7+;6-5+;;;;;;;;;;;;;;;;.

What are the key properties of sodium;acetic acid;2-amino-4-fluorobenzoic acid;(E)-N-[4-[3-chloro-N-[(3,4-dimethoxyphenyl)methyl]-4-fluoroanilino]-7-methoxyquinazolin-6-yl]-4-piperidin-1-ylbut-2-enamide;(E)-N-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]-4-piperidin-1-ylbut-2-enamide;4-chloro-7-fluoro-N-hydroperoxyquinazolin-6-amine;4-N-(3-chloro-4-fluorophenyl)-4-N-[(3,4-dimethoxyphenyl)methyl]-7-fluoro-6-N-hydroperoxyquinazoline-4,6-diamine;4-N-(3-chloro-4-fluorophenyl)-4-N-[(3,4-dimethoxyphenyl)methyl]-6-N-hydroperoxy-7-methoxyquinazoline-4,6-diamine;4-N-(3-chloro-4-fluorophenyl)-4-N-[(3,4-dimethoxyphenyl)methyl]-7-methoxyquinazoline-4,6-diamine;7-fluoro-6-(hydroperoxyamino)-3H-quinazolin-4-one;7-fluoro-3H-quinazolin-4-one;methane;methanimidamide;methanolate;propan-2-ol;thionyl dichloride;2,2,2-trifluoroacetaldehyde?

sodium;acetic acid;2-amino-4-fluorobenzoic acid;(E)-N-[4-[3-chloro-N-[(3,4-dimethoxyphenyl)methyl]-4-fluoroanilino]-7-methoxyquinazolin-6-yl]-4-piperidin-1-ylbut-2-enamide;(E)-N-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]-4-piperidin-1-ylbut-2-enamide;4-chloro-7-fluoro-N-hydroperoxyquinazolin-6-amine;4-N-(3-chloro-4-fluorophenyl)-4-N-[(3,4-dimethoxyphenyl)methyl]-7-fluoro-6-N-hydroperoxyquinazoline-4,6-diamine;4-N-(3-chloro-4-fluorophenyl)-4-N-[(3,4-dimethoxyphenyl)methyl]-6-N-hydroperoxy-7-methoxyquinazoline-4,6-diamine;4-N-(3-chloro-4-fluorophenyl)-4-N-[(3,4-dimethoxyphenyl)methyl]-7-methoxyquinazoline-4,6-diamine;7-fluoro-6-(hydroperoxyamino)-3H-quinazolin-4-one;7-fluoro-3H-quinazolin-4-one;methane;methanimidamide;methanolate;propan-2-ol;thionyl dichloride;2,2,2-trifluoroacetaldehyde has a molecular weight of 3776.11 g/mol, XLogP of 32.99, 47 rotatable bonds, 20 hydrogen bond donors, and 58 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;acetic acid;2-amino-4-fluorobenzoic acid;(E)-N-[4-[3-chloro-N-[(3,4-dimethoxyphenyl)methyl]-4-fluoroanilino]-7-methoxyquinazolin-6-yl]-4-piperidin-1-ylbut-2-enamide;(E)-N-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]-4-piperidin-1-ylbut-2-enamide;4-chloro-7-fluoro-N-hydroperoxyquinazolin-6-amine;4-N-(3-chloro-4-fluorophenyl)-4-N-[(3,4-dimethoxyphenyl)methyl]-7-fluoro-6-N-hydroperoxyquinazoline-4,6-diamine;4-N-(3-chloro-4-fluorophenyl)-4-N-[(3,4-dimethoxyphenyl)methyl]-6-N-hydroperoxy-7-methoxyquinazoline-4,6-diamine;4-N-(3-chloro-4-fluorophenyl)-4-N-[(3,4-dimethoxyphenyl)methyl]-7-methoxyquinazoline-4,6-diamine;7-fluoro-6-(hydroperoxyamino)-3H-quinazolin-4-one;7-fluoro-3H-quinazolin-4-one;methane;methanimidamide;methanolate;propan-2-ol;thionyl dichloride;2,2,2-trifluoroacetaldehyde is sourced from PubChem (CID 158917448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).