4-aminophenol;benzoyl chloride;4-chloro-6-methoxy-7-phenylmethoxyquinoline;cyclopentyl (2S)-2-amino-4-[4-(4-benzamidophenoxy)-6-methoxyquinolin-7-yl]oxybutanoate;cyclopentyl (2S)-4-[4-(4-benzamidophenoxy)-6-methoxyquinolin-7-yl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;cyclopentyl 4-hydroxy-2-methylbutanoate;N,N-diethylethanamine;N-[4-(7-hydroxy-6-methoxyquinolin-4-yl)oxyphenyl]benzamide;bis(N-(4-hydroxyphenyl)benzamide);N-[4-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxyphenyl]benzamide

C194H197Cl2N15O33 — CID 158538088

About 4-aminophenol;benzoyl chloride;4-chloro-6-methoxy-7-phenylmethoxyquinoline;cyclopentyl (2S)-2-amino-4-[4-(4-benzamidophenoxy)-6-methoxyquinolin-7-yl]oxybutanoate;cyclopentyl (2S)-4-[4-(4-benzamidophenoxy)-6-methoxyquinolin-7-yl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;cyclopentyl 4-hydroxy-2-methylbutanoate;N,N-diethylethanamine;N-[4-(7-hydroxy-6-methoxyquinolin-4-yl)oxyphenyl]benzamide;bis(N-(4-hydroxyphenyl)benzamide);N-[4-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxyphenyl]benzamide

4-aminophenol;benzoyl chloride;4-chloro-6-methoxy-7-phenylmethoxyquinoline;cyclopentyl (2S)-2-amino-4-[4-(4-benzamidophenoxy)-6-methoxyquinolin-7-yl]oxybutanoate;cyclopentyl (2S)-4-[4-(4-benzamidophenoxy)-6-methoxyquinolin-7-yl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;cyclopentyl 4-hydroxy-2-methylbutanoate;N,N-diethylethanamine;N-[4-(7-hydroxy-6-methoxyquinolin-4-yl)oxyphenyl]benzamide;bis(N-(4-hydroxyphenyl)benzamide);N-[4-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxyphenyl]benzamide (PubChem CID 158538088) has the molecular formula C194H197Cl2N15O33 and a molecular weight of 3337.69 g/mol. Its IUPAC name is 4-aminophenol;benzoyl chloride;4-chloro-6-methoxy-7-phenylmethoxyquinoline;cyclopentyl (2S)-2-amino-4-[4-(4-benzamidophenoxy)-6-methoxyquinolin-7-yl]oxybutanoate;cyclopentyl (2S)-4-[4-(4-benzamidophenoxy)-6-methoxyquinolin-7-yl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;cyclopentyl 4-hydroxy-2-methylbutanoate;N,N-diethylethanamine;N-[4-(7-hydroxy-6-methoxyquinolin-4-yl)oxyphenyl]benzamide;bis(N-(4-hydroxyphenyl)benzamide);N-[4-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxyphenyl]benzamide.

Molecular Properties

• Compound Name: 4-aminophenol;benzoyl chloride;4-chloro-6-methoxy-7-phenylmethoxyquinoline;cyclopentyl (2S)-2-amino-4-[4-(4-benzamidophenoxy)-6-methoxyquinolin-7-yl]oxybutanoate;cyclopentyl (2S)-4-[4-(4-benzamidophenoxy)-6-methoxyquinolin-7-yl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;cyclopentyl 4-hydroxy-2-methylbutanoate;N,N-diethylethanamine;N-[4-(7-hydroxy-6-methoxyquinolin-4-yl)oxyphenyl]benzamide;bis(N-(4-hydroxyphenyl)benzamide);N-[4-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxyphenyl]benzamide
• PubChem CID: 158538088
• Molecular Formula: C194H197Cl2N15O33
• Molecular Weight: 3337.69 g/mol
• Exact Mass: 3334.36
• IUPAC Name: 4-aminophenol;benzoyl chloride;4-chloro-6-methoxy-7-phenylmethoxyquinoline;cyclopentyl (2S)-2-amino-4-[4-(4-benzamidophenoxy)-6-methoxyquinolin-7-yl]oxybutanoate;cyclopentyl (2S)-4-[4-(4-benzamidophenoxy)-6-methoxyquinolin-7-yl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;cyclopentyl 4-hydroxy-2-methylbutanoate;N,N-diethylethanamine;N-[4-(7-hydroxy-6-methoxyquinolin-4-yl)oxyphenyl]benzamide;bis(N-(4-hydroxyphenyl)benzamide);N-[4-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxyphenyl]benzamide
• SMILES: CC(CCO)C(=O)OC1CCCC1.CCN(CC)CC.COc1cc2c(Cl)ccnc2cc1OCc1ccccc1.COc1cc2c(Oc3ccc(NC(=O)c4ccccc4)cc3)ccnc2cc1O.COc1cc2c(Oc3ccc(NC(=O)c4ccccc4)cc3)ccnc2cc1OCC[C@H](N)C(=O)OC1CCCC1.COc1cc2c(Oc3ccc(NC(=O)c4ccccc4)cc3)ccnc2cc1OCC[C@H](NC(=O)OC(C)(C)C)C(=O)OC1CCCC1.COc1cc2c(Oc3ccc(NC(=O)c4ccccc4)cc3)ccnc2cc1OCc1ccccc1.Nc1ccc(O)cc1.O=C(Cl)c1ccccc1.O=C(Nc1ccc(O)cc1)c1ccccc1.O=C(Nc1ccc(O)cc1)c1ccccc1
• InChI: InChI=1S/C37H41N3O8.C32H33N3O6.C30H24N2O4.C23H18N2O4.C17H14ClNO2.2C13H11NO2.C10H18O3.C7H5ClO.C6H7NO.C6H15N/c1-37(2,3)48-36(43)40-29(35(42)47-26-12-8-9-13-26)19-21-45-33-23-30-28(22-32(33)44-4)31(18-20-38-30)46-27-16-14-25(15-17-27)39-34(41)24-10-6-5-7-11-24;1-38-29-19-25-27(20-30(29)39-18-16-26(33)32(37)41-23-9-5-6-10-23)34-17-15-28(25)40-24-13-11-22(12-14-24)35-31(36)21-7-3-2-4-8-21;1-34-28-18-25-26(19-29(28)35-20-21-8-4-2-5-9-21)31-17-16-27(25)36-24-14-12-23(13-15-24)32-30(33)22-10-6-3-7-11-22;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;1-8(6-7-11)10(12)13-9-4-2-3-5-9;8-7(9)6-4-2-1-3-5-6;7-5-1-3-6(8)4-2-5;1-4-7(5-2)6-3/h5-7,10-11,14-18,20,22-23,26,29H,8-9,12-13,19,21H2,1-4H3,(H,39,41)(H,40,43);2-4,7-8,11-15,17,19-20,23,26H,5-6,9-10,16,18,33H2,1H3,(H,35,36);2-19H,20H2,1H3,(H,32,33);2-14,26H,1H3,(H,25,27);2-10H,11H2,1H3;2*1-9,15H,(H,14,16);8-9,11H,2-7H2,1H3;1-5H;1-4,8H,7H2;4-6H2,1-3H3/t29-;26-;;;;;;;;;/m00........./s1
• InChIKey: HOEMOHIGLYWRTP-KIECPEQBSA-N
• XLogP: 40.81
• TPSA: 649.77 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 41
• Rotatable Bonds: 52
• Heavy Atoms: 244
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3337.69
LogP ≤ 5	40.81
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	41

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': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-aminophenol;benzoyl chloride;4-chloro-6-methoxy-7-phenylmethoxyquinoline;cyclopentyl (2S)-2-amino-4-[4-(4-benzamidophenoxy)-6-methoxyquinolin-7-yl]oxybutanoate;cyclopentyl (2S)-4-[4-(4-benzamidophenoxy)-6-methoxyquinolin-7-yl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;cyclopentyl 4-hydroxy-2-methylbutanoate;N,N-diethylethanamine;N-[4-(7-hydroxy-6-methoxyquinolin-4-yl)oxyphenyl]benzamide;bis(N-(4-hydroxyphenyl)benzamide);N-[4-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxyphenyl]benzamide?

The IUPAC name of 4-aminophenol;benzoyl chloride;4-chloro-6-methoxy-7-phenylmethoxyquinoline;cyclopentyl (2S)-2-amino-4-[4-(4-benzamidophenoxy)-6-methoxyquinolin-7-yl]oxybutanoate;cyclopentyl (2S)-4-[4-(4-benzamidophenoxy)-6-methoxyquinolin-7-yl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;cyclopentyl 4-hydroxy-2-methylbutanoate;N,N-diethylethanamine;N-[4-(7-hydroxy-6-methoxyquinolin-4-yl)oxyphenyl]benzamide;bis(N-(4-hydroxyphenyl)benzamide);N-[4-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxyphenyl]benzamide (CID 158538088) is 4-aminophenol;benzoyl chloride;4-chloro-6-methoxy-7-phenylmethoxyquinoline;cyclopentyl (2S)-2-amino-4-[4-(4-benzamidophenoxy)-6-methoxyquinolin-7-yl]oxybutanoate;cyclopentyl (2S)-4-[4-(4-benzamidophenoxy)-6-methoxyquinolin-7-yl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;cyclopentyl 4-hydroxy-2-methylbutanoate;N,N-diethylethanamine;N-[4-(7-hydroxy-6-methoxyquinolin-4-yl)oxyphenyl]benzamide;bis(N-(4-hydroxyphenyl)benzamide);N-[4-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxyphenyl]benzamide.

What is the SMILES notation for 4-aminophenol;benzoyl chloride;4-chloro-6-methoxy-7-phenylmethoxyquinoline;cyclopentyl (2S)-2-amino-4-[4-(4-benzamidophenoxy)-6-methoxyquinolin-7-yl]oxybutanoate;cyclopentyl (2S)-4-[4-(4-benzamidophenoxy)-6-methoxyquinolin-7-yl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;cyclopentyl 4-hydroxy-2-methylbutanoate;N,N-diethylethanamine;N-[4-(7-hydroxy-6-methoxyquinolin-4-yl)oxyphenyl]benzamide;bis(N-(4-hydroxyphenyl)benzamide);N-[4-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxyphenyl]benzamide?

The canonical SMILES for 4-aminophenol;benzoyl chloride;4-chloro-6-methoxy-7-phenylmethoxyquinoline;cyclopentyl (2S)-2-amino-4-[4-(4-benzamidophenoxy)-6-methoxyquinolin-7-yl]oxybutanoate;cyclopentyl (2S)-4-[4-(4-benzamidophenoxy)-6-methoxyquinolin-7-yl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;cyclopentyl 4-hydroxy-2-methylbutanoate;N,N-diethylethanamine;N-[4-(7-hydroxy-6-methoxyquinolin-4-yl)oxyphenyl]benzamide;bis(N-(4-hydroxyphenyl)benzamide);N-[4-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxyphenyl]benzamide is CC(CCO)C(=O)OC1CCCC1.CCN(CC)CC.COc1cc2c(Cl)ccnc2cc1OCc1ccccc1.COc1cc2c(Oc3ccc(NC(=O)c4ccccc4)cc3)ccnc2cc1O.COc1cc2c(Oc3ccc(NC(=O)c4ccccc4)cc3)ccnc2cc1OCC[C@H](N)C(=O)OC1CCCC1.COc1cc2c(Oc3ccc(NC(=O)c4ccccc4)cc3)ccnc2cc1OCC[C@H](NC(=O)OC(C)(C)C)C(=O)OC1CCCC1.COc1cc2c(Oc3ccc(NC(=O)c4ccccc4)cc3)ccnc2cc1OCc1ccccc1.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;4-chloro-6-methoxy-7-phenylmethoxyquinoline;cyclopentyl (2S)-2-amino-4-[4-(4-benzamidophenoxy)-6-methoxyquinolin-7-yl]oxybutanoate;cyclopentyl (2S)-4-[4-(4-benzamidophenoxy)-6-methoxyquinolin-7-yl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;cyclopentyl 4-hydroxy-2-methylbutanoate;N,N-diethylethanamine;N-[4-(7-hydroxy-6-methoxyquinolin-4-yl)oxyphenyl]benzamide;bis(N-(4-hydroxyphenyl)benzamide);N-[4-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxyphenyl]benzamide?

The InChIKey is HOEMOHIGLYWRTP-KIECPEQBSA-N. The full InChI is InChI=1S/C37H41N3O8.C32H33N3O6.C30H24N2O4.C23H18N2O4.C17H14ClNO2.2C13H11NO2.C10H18O3.C7H5ClO.C6H7NO.C6H15N/c1-37(2,3)48-36(43)40-29(35(42)47-26-12-8-9-13-26)19-21-45-33-23-30-28(22-32(33)44-4)31(18-20-38-30)46-27-16-14-25(15-17-27)39-34(41)24-10-6-5-7-11-24;1-38-29-19-25-27(20-30(29)39-18-16-26(33)32(37)41-23-9-5-6-10-23)34-17-15-28(25)40-24-13-11-22(12-14-24)35-31(36)21-7-3-2-4-8-21;1-34-28-18-25-26(19-29(28)35-20-21-8-4-2-5-9-21)31-17-16-27(25)36-24-14-12-23(13-15-24)32-30(33)22-10-6-3-7-11-22;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;1-8(6-7-11)10(12)13-9-4-2-3-5-9;8-7(9)6-4-2-1-3-5-6;7-5-1-3-6(8)4-2-5;1-4-7(5-2)6-3/h5-7,10-11,14-18,20,22-23,26,29H,8-9,12-13,19,21H2,1-4H3,(H,39,41)(H,40,43);2-4,7-8,11-15,17,19-20,23,26H,5-6,9-10,16,18,33H2,1H3,(H,35,36);2-19H,20H2,1H3,(H,32,33);2-14,26H,1H3,(H,25,27);2-10H,11H2,1H3;2*1-9,15H,(H,14,16);8-9,11H,2-7H2,1H3;1-5H;1-4,8H,7H2;4-6H2,1-3H3/t29-;26-;;;;;;;;;/m00........./s1.

What are the key properties of 4-aminophenol;benzoyl chloride;4-chloro-6-methoxy-7-phenylmethoxyquinoline;cyclopentyl (2S)-2-amino-4-[4-(4-benzamidophenoxy)-6-methoxyquinolin-7-yl]oxybutanoate;cyclopentyl (2S)-4-[4-(4-benzamidophenoxy)-6-methoxyquinolin-7-yl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;cyclopentyl 4-hydroxy-2-methylbutanoate;N,N-diethylethanamine;N-[4-(7-hydroxy-6-methoxyquinolin-4-yl)oxyphenyl]benzamide;bis(N-(4-hydroxyphenyl)benzamide);N-[4-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxyphenyl]benzamide?

4-aminophenol;benzoyl chloride;4-chloro-6-methoxy-7-phenylmethoxyquinoline;cyclopentyl (2S)-2-amino-4-[4-(4-benzamidophenoxy)-6-methoxyquinolin-7-yl]oxybutanoate;cyclopentyl (2S)-4-[4-(4-benzamidophenoxy)-6-methoxyquinolin-7-yl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;cyclopentyl 4-hydroxy-2-methylbutanoate;N,N-diethylethanamine;N-[4-(7-hydroxy-6-methoxyquinolin-4-yl)oxyphenyl]benzamide;bis(N-(4-hydroxyphenyl)benzamide);N-[4-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxyphenyl]benzamide has a molecular weight of 3337.69 g/mol, XLogP of 40.81, 52 rotatable bonds, 14 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for 4-aminophenol;benzoyl chloride;4-chloro-6-methoxy-7-phenylmethoxyquinoline;cyclopentyl (2S)-2-amino-4-[4-(4-benzamidophenoxy)-6-methoxyquinolin-7-yl]oxybutanoate;cyclopentyl (2S)-4-[4-(4-benzamidophenoxy)-6-methoxyquinolin-7-yl]oxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate;cyclopentyl 4-hydroxy-2-methylbutanoate;N,N-diethylethanamine;N-[4-(7-hydroxy-6-methoxyquinolin-4-yl)oxyphenyl]benzamide;bis(N-(4-hydroxyphenyl)benzamide);N-[4-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxyphenyl]benzamide is sourced from PubChem (CID 158538088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).