4-aminophenol;benzoyl chloride;tert-butyl (2S)-2-amino-4-[4-(4-benzamidophenoxy)-6-methoxyquinolin-7-yl]oxybutanoate;tert-butyl (2S)-4-[4-(4-benzamidophenoxy)-6-methoxyquinolin-7-yl]oxy-2-methylbutanoate;tert-butyl (2S)-4-bromo-2-methylbutanoate;4-chloro-6-methoxy-7-phenylmethoxyquinoline;N-[4-(7-hydroxy-6-methoxyquinolin-4-yl)oxyphenyl]benzamide;bis(N-(4-hydroxyphenyl)benzamide);N-[4-[(6-methoxy-7-phenylmethoxyquinolin-4-yl)methyl]phenyl]benzamide

C182H176BrCl2N13O29 — CID 159883075

About 4-aminophenol;benzoyl chloride;tert-butyl (2S)-2-amino-4-[4-(4-benzamidophenoxy)-6-methoxyquinolin-7-yl]oxybutanoate;tert-butyl (2S)-4-[4-(4-benzamidophenoxy)-6-methoxyquinolin-7-yl]oxy-2-methylbutanoate;tert-butyl (2S)-4-bromo-2-methylbutanoate;4-chloro-6-methoxy-7-phenylmethoxyquinoline;N-[4-(7-hydroxy-6-methoxyquinolin-4-yl)oxyphenyl]benzamide;bis(N-(4-hydroxyphenyl)benzamide);N-[4-[(6-methoxy-7-phenylmethoxyquinolin-4-yl)methyl]phenyl]benzamide

4-aminophenol;benzoyl chloride;tert-butyl (2S)-2-amino-4-[4-(4-benzamidophenoxy)-6-methoxyquinolin-7-yl]oxybutanoate;tert-butyl (2S)-4-[4-(4-benzamidophenoxy)-6-methoxyquinolin-7-yl]oxy-2-methylbutanoate;tert-butyl (2S)-4-bromo-2-methylbutanoate;4-chloro-6-methoxy-7-phenylmethoxyquinoline;N-[4-(7-hydroxy-6-methoxyquinolin-4-yl)oxyphenyl]benzamide;bis(N-(4-hydroxyphenyl)benzamide);N-[4-[(6-methoxy-7-phenylmethoxyquinolin-4-yl)methyl]phenyl]benzamide (PubChem CID 159883075) has the molecular formula C182H176BrCl2N13O29 and a molecular weight of 3160.28 g/mol. Its IUPAC name is 4-aminophenol;benzoyl chloride;tert-butyl (2S)-2-amino-4-[4-(4-benzamidophenoxy)-6-methoxyquinolin-7-yl]oxybutanoate;tert-butyl (2S)-4-[4-(4-benzamidophenoxy)-6-methoxyquinolin-7-yl]oxy-2-methylbutanoate;tert-butyl (2S)-4-bromo-2-methylbutanoate;4-chloro-6-methoxy-7-phenylmethoxyquinoline;N-[4-(7-hydroxy-6-methoxyquinolin-4-yl)oxyphenyl]benzamide;bis(N-(4-hydroxyphenyl)benzamide);N-[4-[(6-methoxy-7-phenylmethoxyquinolin-4-yl)methyl]phenyl]benzamide.

Molecular Properties

• Compound Name: 4-aminophenol;benzoyl chloride;tert-butyl (2S)-2-amino-4-[4-(4-benzamidophenoxy)-6-methoxyquinolin-7-yl]oxybutanoate;tert-butyl (2S)-4-[4-(4-benzamidophenoxy)-6-methoxyquinolin-7-yl]oxy-2-methylbutanoate;tert-butyl (2S)-4-bromo-2-methylbutanoate;4-chloro-6-methoxy-7-phenylmethoxyquinoline;N-[4-(7-hydroxy-6-methoxyquinolin-4-yl)oxyphenyl]benzamide;bis(N-(4-hydroxyphenyl)benzamide);N-[4-[(6-methoxy-7-phenylmethoxyquinolin-4-yl)methyl]phenyl]benzamide
• PubChem CID: 159883075
• Molecular Formula: C182H176BrCl2N13O29
• Molecular Weight: 3160.28 g/mol
• Exact Mass: 3156.13
• IUPAC Name: 4-aminophenol;benzoyl chloride;tert-butyl (2S)-2-amino-4-[4-(4-benzamidophenoxy)-6-methoxyquinolin-7-yl]oxybutanoate;tert-butyl (2S)-4-[4-(4-benzamidophenoxy)-6-methoxyquinolin-7-yl]oxy-2-methylbutanoate;tert-butyl (2S)-4-bromo-2-methylbutanoate;4-chloro-6-methoxy-7-phenylmethoxyquinoline;N-[4-(7-hydroxy-6-methoxyquinolin-4-yl)oxyphenyl]benzamide;bis(N-(4-hydroxyphenyl)benzamide);N-[4-[(6-methoxy-7-phenylmethoxyquinolin-4-yl)methyl]phenyl]benzamide
• SMILES: COc1cc2c(Cc3ccc(NC(=O)c4ccccc4)cc3)ccnc2cc1OCc1ccccc1.COc1cc2c(Cl)ccnc2cc1OCc1ccccc1.COc1cc2c(Oc3ccc(NC(=O)c4ccccc4)cc3)ccnc2cc1O.COc1cc2c(Oc3ccc(NC(=O)c4ccccc4)cc3)ccnc2cc1OCC[C@H](C)C(=O)OC(C)(C)C.COc1cc2c(Oc3ccc(NC(=O)c4ccccc4)cc3)ccnc2cc1OCC[C@H](N)C(=O)OC(C)(C)C.C[C@@H](CCBr)C(=O)OC(C)(C)C.Nc1ccc(O)cc1.O=C(Cl)c1ccccc1.O=C(Nc1ccc(O)cc1)c1ccccc1.O=C(Nc1ccc(O)cc1)c1ccccc1
• InChI: InChI=1S/C32H34N2O6.C31H33N3O6.C31H26N2O3.C23H18N2O4.C17H14ClNO2.2C13H11NO2.C9H17BrO2.C7H5ClO.C6H7NO/c1-21(31(36)40-32(2,3)4)16-18-38-29-20-26-25(19-28(29)37-5)27(15-17-33-26)39-24-13-11-23(12-14-24)34-30(35)22-9-7-6-8-10-22;1-31(2,3)40-30(36)24(32)15-17-38-28-19-25-23(18-27(28)37-4)26(14-16-33-25)39-22-12-10-21(11-13-22)34-29(35)20-8-6-5-7-9-20;1-35-29-19-27-25(16-17-32-28(27)20-30(29)36-21-23-8-4-2-5-9-23)18-22-12-14-26(15-13-22)33-31(34)24-10-6-3-7-11-24;1-28-22-13-18-19(14-20(22)26)24-12-11-21(18)29-17-9-7-16(8-10-17)25-23(27)15-5-3-2-4-6-15;1-20-16-9-13-14(18)7-8-19-15(13)10-17(16)21-11-12-5-3-2-4-6-12;2*15-12-8-6-11(7-9-12)14-13(16)10-4-2-1-3-5-10;1-7(5-6-10)8(11)12-9(2,3)4;8-7(9)6-4-2-1-3-5-6;7-5-1-3-6(8)4-2-5/h6-15,17,19-21H,16,18H2,1-5H3,(H,34,35);5-14,16,18-19,24H,15,17,32H2,1-4H3,(H,34,35);2-17,19-20H,18,21H2,1H3,(H,33,34);2-14,26H,1H3,(H,25,27);2-10H,11H2,1H3;2*1-9,15H,(H,14,16);7H,5-6H2,1-4H3;1-5H;1-4,8H,7H2/t21-;24-;;;;;;7-;;/m00.....0../s1
• InChIKey: NTTVSNMWULHLSQ-XTAHFOIWSA-N
• XLogP: 39.97
• TPSA: 578.74 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 36
• Rotatable Bonds: 45
• Heavy Atoms: 227
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3160.28
LogP ≤ 5	39.97
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-aminophenol;benzoyl chloride;tert-butyl (2S)-2-amino-4-[4-(4-benzamidophenoxy)-6-methoxyquinolin-7-yl]oxybutanoate;tert-butyl (2S)-4-[4-(4-benzamidophenoxy)-6-methoxyquinolin-7-yl]oxy-2-methylbutanoate;tert-butyl (2S)-4-bromo-2-methylbutanoate;4-chloro-6-methoxy-7-phenylmethoxyquinoline;N-[4-(7-hydroxy-6-methoxyquinolin-4-yl)oxyphenyl]benzamide;bis(N-(4-hydroxyphenyl)benzamide);N-[4-[(6-methoxy-7-phenylmethoxyquinolin-4-yl)methyl]phenyl]benzamide?

The IUPAC name of 4-aminophenol;benzoyl chloride;tert-butyl (2S)-2-amino-4-[4-(4-benzamidophenoxy)-6-methoxyquinolin-7-yl]oxybutanoate;tert-butyl (2S)-4-[4-(4-benzamidophenoxy)-6-methoxyquinolin-7-yl]oxy-2-methylbutanoate;tert-butyl (2S)-4-bromo-2-methylbutanoate;4-chloro-6-methoxy-7-phenylmethoxyquinoline;N-[4-(7-hydroxy-6-methoxyquinolin-4-yl)oxyphenyl]benzamide;bis(N-(4-hydroxyphenyl)benzamide);N-[4-[(6-methoxy-7-phenylmethoxyquinolin-4-yl)methyl]phenyl]benzamide (CID 159883075) is 4-aminophenol;benzoyl chloride;tert-butyl (2S)-2-amino-4-[4-(4-benzamidophenoxy)-6-methoxyquinolin-7-yl]oxybutanoate;tert-butyl (2S)-4-[4-(4-benzamidophenoxy)-6-methoxyquinolin-7-yl]oxy-2-methylbutanoate;tert-butyl (2S)-4-bromo-2-methylbutanoate;4-chloro-6-methoxy-7-phenylmethoxyquinoline;N-[4-(7-hydroxy-6-methoxyquinolin-4-yl)oxyphenyl]benzamide;bis(N-(4-hydroxyphenyl)benzamide);N-[4-[(6-methoxy-7-phenylmethoxyquinolin-4-yl)methyl]phenyl]benzamide.

What is the SMILES notation for 4-aminophenol;benzoyl chloride;tert-butyl (2S)-2-amino-4-[4-(4-benzamidophenoxy)-6-methoxyquinolin-7-yl]oxybutanoate;tert-butyl (2S)-4-[4-(4-benzamidophenoxy)-6-methoxyquinolin-7-yl]oxy-2-methylbutanoate;tert-butyl (2S)-4-bromo-2-methylbutanoate;4-chloro-6-methoxy-7-phenylmethoxyquinoline;N-[4-(7-hydroxy-6-methoxyquinolin-4-yl)oxyphenyl]benzamide;bis(N-(4-hydroxyphenyl)benzamide);N-[4-[(6-methoxy-7-phenylmethoxyquinolin-4-yl)methyl]phenyl]benzamide?

The canonical SMILES for 4-aminophenol;benzoyl chloride;tert-butyl (2S)-2-amino-4-[4-(4-benzamidophenoxy)-6-methoxyquinolin-7-yl]oxybutanoate;tert-butyl (2S)-4-[4-(4-benzamidophenoxy)-6-methoxyquinolin-7-yl]oxy-2-methylbutanoate;tert-butyl (2S)-4-bromo-2-methylbutanoate;4-chloro-6-methoxy-7-phenylmethoxyquinoline;N-[4-(7-hydroxy-6-methoxyquinolin-4-yl)oxyphenyl]benzamide;bis(N-(4-hydroxyphenyl)benzamide);N-[4-[(6-methoxy-7-phenylmethoxyquinolin-4-yl)methyl]phenyl]benzamide is COc1cc2c(Cc3ccc(NC(=O)c4ccccc4)cc3)ccnc2cc1OCc1ccccc1.COc1cc2c(Cl)ccnc2cc1OCc1ccccc1.COc1cc2c(Oc3ccc(NC(=O)c4ccccc4)cc3)ccnc2cc1O.COc1cc2c(Oc3ccc(NC(=O)c4ccccc4)cc3)ccnc2cc1OCC[C@H](C)C(=O)OC(C)(C)C.COc1cc2c(Oc3ccc(NC(=O)c4ccccc4)cc3)ccnc2cc1OCC[C@H](N)C(=O)OC(C)(C)C.C[C@@H](CCBr)C(=O)OC(C)(C)C.Nc1ccc(O)cc1.O=C(Cl)c1ccccc1.O=C(Nc1ccc(O)cc1)c1ccccc1.O=C(Nc1ccc(O)cc1)c1ccccc1.

What is the InChIKey of 4-aminophenol;benzoyl chloride;tert-butyl (2S)-2-amino-4-[4-(4-benzamidophenoxy)-6-methoxyquinolin-7-yl]oxybutanoate;tert-butyl (2S)-4-[4-(4-benzamidophenoxy)-6-methoxyquinolin-7-yl]oxy-2-methylbutanoate;tert-butyl (2S)-4-bromo-2-methylbutanoate;4-chloro-6-methoxy-7-phenylmethoxyquinoline;N-[4-(7-hydroxy-6-methoxyquinolin-4-yl)oxyphenyl]benzamide;bis(N-(4-hydroxyphenyl)benzamide);N-[4-[(6-methoxy-7-phenylmethoxyquinolin-4-yl)methyl]phenyl]benzamide?

The InChIKey is NTTVSNMWULHLSQ-XTAHFOIWSA-N. The full InChI is InChI=1S/C32H34N2O6.C31H33N3O6.C31H26N2O3.C23H18N2O4.C17H14ClNO2.2C13H11NO2.C9H17BrO2.C7H5ClO.C6H7NO/c1-21(31(36)40-32(2,3)4)16-18-38-29-20-26-25(19-28(29)37-5)27(15-17-33-26)39-24-13-11-23(12-14-24)34-30(35)22-9-7-6-8-10-22;1-31(2,3)40-30(36)24(32)15-17-38-28-19-25-23(18-27(28)37-4)26(14-16-33-25)39-22-12-10-21(11-13-22)34-29(35)20-8-6-5-7-9-20;1-35-29-19-27-25(16-17-32-28(27)20-30(29)36-21-23-8-4-2-5-9-23)18-22-12-14-26(15-13-22)33-31(34)24-10-6-3-7-11-24;1-28-22-13-18-19(14-20(22)26)24-12-11-21(18)29-17-9-7-16(8-10-17)25-23(27)15-5-3-2-4-6-15;1-20-16-9-13-14(18)7-8-19-15(13)10-17(16)21-11-12-5-3-2-4-6-12;2*15-12-8-6-11(7-9-12)14-13(16)10-4-2-1-3-5-10;1-7(5-6-10)8(11)12-9(2,3)4;8-7(9)6-4-2-1-3-5-6;7-5-1-3-6(8)4-2-5/h6-15,17,19-21H,16,18H2,1-5H3,(H,34,35);5-14,16,18-19,24H,15,17,32H2,1-4H3,(H,34,35);2-17,19-20H,18,21H2,1H3,(H,33,34);2-14,26H,1H3,(H,25,27);2-10H,11H2,1H3;2*1-9,15H,(H,14,16);7H,5-6H2,1-4H3;1-5H;1-4,8H,7H2/t21-;24-;;;;;;7-;;/m00.....0../s1.

What are the key properties of 4-aminophenol;benzoyl chloride;tert-butyl (2S)-2-amino-4-[4-(4-benzamidophenoxy)-6-methoxyquinolin-7-yl]oxybutanoate;tert-butyl (2S)-4-[4-(4-benzamidophenoxy)-6-methoxyquinolin-7-yl]oxy-2-methylbutanoate;tert-butyl (2S)-4-bromo-2-methylbutanoate;4-chloro-6-methoxy-7-phenylmethoxyquinoline;N-[4-(7-hydroxy-6-methoxyquinolin-4-yl)oxyphenyl]benzamide;bis(N-(4-hydroxyphenyl)benzamide);N-[4-[(6-methoxy-7-phenylmethoxyquinolin-4-yl)methyl]phenyl]benzamide?

4-aminophenol;benzoyl chloride;tert-butyl (2S)-2-amino-4-[4-(4-benzamidophenoxy)-6-methoxyquinolin-7-yl]oxybutanoate;tert-butyl (2S)-4-[4-(4-benzamidophenoxy)-6-methoxyquinolin-7-yl]oxy-2-methylbutanoate;tert-butyl (2S)-4-bromo-2-methylbutanoate;4-chloro-6-methoxy-7-phenylmethoxyquinoline;N-[4-(7-hydroxy-6-methoxyquinolin-4-yl)oxyphenyl]benzamide;bis(N-(4-hydroxyphenyl)benzamide);N-[4-[(6-methoxy-7-phenylmethoxyquinolin-4-yl)methyl]phenyl]benzamide has a molecular weight of 3160.28 g/mol, XLogP of 39.97, 45 rotatable bonds, 12 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 4-aminophenol;benzoyl chloride;tert-butyl (2S)-2-amino-4-[4-(4-benzamidophenoxy)-6-methoxyquinolin-7-yl]oxybutanoate;tert-butyl (2S)-4-[4-(4-benzamidophenoxy)-6-methoxyquinolin-7-yl]oxy-2-methylbutanoate;tert-butyl (2S)-4-bromo-2-methylbutanoate;4-chloro-6-methoxy-7-phenylmethoxyquinoline;N-[4-(7-hydroxy-6-methoxyquinolin-4-yl)oxyphenyl]benzamide;bis(N-(4-hydroxyphenyl)benzamide);N-[4-[(6-methoxy-7-phenylmethoxyquinolin-4-yl)methyl]phenyl]benzamide is sourced from PubChem (CID 159883075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).