N-[1-[[4-(1,1-difluoroethoxy)phenyl]methylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-3-(8-hydroxyquinolin-6-yl)benzamide;N-[1-[[4-(dimethylamino)phenyl]methylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-3-(8-hydroxyquinolin-6-yl)benzamide;bis(3-(8-hydroxyquinolin-6-yl)-N-[3-(1H-indol-3-yl)-1-[2-(4-methylphenyl)ethylamino]-1-oxopropan-2-yl]benzamide);3-(8-hydroxyquinolin-6-yl)-N-[3-(1H-indol-3-yl)-1-oxo-1-[(4-phenylphenyl)methylamino]propan-2-yl]benzamide

C184H159F2N21O16 — CID 167619445

About N-[1-[[4-(1,1-difluoroethoxy)phenyl]methylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-3-(8-hydroxyquinolin-6-yl)benzamide;N-[1-[[4-(dimethylamino)phenyl]methylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-3-(8-hydroxyquinolin-6-yl)benzamide;bis(3-(8-hydroxyquinolin-6-yl)-N-[3-(1H-indol-3-yl)-1-[2-(4-methylphenyl)ethylamino]-1-oxopropan-2-yl]benzamide);3-(8-hydroxyquinolin-6-yl)-N-[3-(1H-indol-3-yl)-1-oxo-1-[(4-phenylphenyl)methylamino]propan-2-yl]benzamide

N-[1-[[4-(1,1-difluoroethoxy)phenyl]methylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-3-(8-hydroxyquinolin-6-yl)benzamide;N-[1-[[4-(dimethylamino)phenyl]methylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-3-(8-hydroxyquinolin-6-yl)benzamide;bis(3-(8-hydroxyquinolin-6-yl)-N-[3-(1H-indol-3-yl)-1-[2-(4-methylphenyl)ethylamino]-1-oxopropan-2-yl]benzamide);3-(8-hydroxyquinolin-6-yl)-N-[3-(1H-indol-3-yl)-1-oxo-1-[(4-phenylphenyl)methylamino]propan-2-yl]benzamide (PubChem CID 167619445) has the molecular formula C184H159F2N21O16 and a molecular weight of 2958.42 g/mol. Its IUPAC name is N-[1-[[4-(1,1-difluoroethoxy)phenyl]methylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-3-(8-hydroxyquinolin-6-yl)benzamide;N-[1-[[4-(dimethylamino)phenyl]methylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-3-(8-hydroxyquinolin-6-yl)benzamide;bis(3-(8-hydroxyquinolin-6-yl)-N-[3-(1H-indol-3-yl)-1-[2-(4-methylphenyl)ethylamino]-1-oxopropan-2-yl]benzamide);3-(8-hydroxyquinolin-6-yl)-N-[3-(1H-indol-3-yl)-1-oxo-1-[(4-phenylphenyl)methylamino]propan-2-yl]benzamide.

Molecular Properties

• Compound Name: N-[1-[[4-(1,1-difluoroethoxy)phenyl]methylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-3-(8-hydroxyquinolin-6-yl)benzamide;N-[1-[[4-(dimethylamino)phenyl]methylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-3-(8-hydroxyquinolin-6-yl)benzamide;bis(3-(8-hydroxyquinolin-6-yl)-N-[3-(1H-indol-3-yl)-1-[2-(4-methylphenyl)ethylamino]-1-oxopropan-2-yl]benzamide);3-(8-hydroxyquinolin-6-yl)-N-[3-(1H-indol-3-yl)-1-oxo-1-[(4-phenylphenyl)methylamino]propan-2-yl]benzamide
• PubChem CID: 167619445
• Molecular Formula: C184H159F2N21O16
• Molecular Weight: 2958.42 g/mol
• Exact Mass: 2956.22
• IUPAC Name: N-[1-[[4-(1,1-difluoroethoxy)phenyl]methylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-3-(8-hydroxyquinolin-6-yl)benzamide;N-[1-[[4-(dimethylamino)phenyl]methylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-3-(8-hydroxyquinolin-6-yl)benzamide;bis(3-(8-hydroxyquinolin-6-yl)-N-[3-(1H-indol-3-yl)-1-[2-(4-methylphenyl)ethylamino]-1-oxopropan-2-yl]benzamide);3-(8-hydroxyquinolin-6-yl)-N-[3-(1H-indol-3-yl)-1-oxo-1-[(4-phenylphenyl)methylamino]propan-2-yl]benzamide
• SMILES: CC(F)(F)Oc1ccc(CNC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)c2cccc(-c3cc(O)c4ncccc4c3)c2)cc1.CN(C)c1ccc(CNC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)c2cccc(-c3cc(O)c4ncccc4c3)c2)cc1.Cc1ccc(CCNC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)c2cccc(-c3cc(O)c4ncccc4c3)c2)cc1.Cc1ccc(CCNC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)c2cccc(-c3cc(O)c4ncccc4c3)c2)cc1.O=C(NC(Cc1c[nH]c2ccccc12)C(=O)NCc1ccc(-c2ccccc2)cc1)c1cccc(-c2cc(O)c3ncccc3c2)c1
• InChI: InChI=1S/C40H32N4O3.C36H30F2N4O4.C36H33N5O3.2C36H32N4O3/c45-37-23-32(21-30-12-7-19-41-38(30)37)29-10-6-11-31(20-29)39(46)44-36(22-33-25-42-35-14-5-4-13-34(33)35)40(47)43-24-26-15-17-28(18-16-26)27-8-2-1-3-9-27;1-36(37,38)46-28-13-11-22(12-14-28)20-41-35(45)31(18-27-21-40-30-10-3-2-9-29(27)30)42-34(44)25-7-4-6-23(16-25)26-17-24-8-5-15-39-33(24)32(43)19-26;1-41(2)29-14-12-23(13-15-29)21-39-36(44)32(19-28-22-38-31-11-4-3-10-30(28)31)40-35(43)26-8-5-7-24(17-26)27-18-25-9-6-16-37-34(25)33(42)20-27;2*1-23-11-13-24(14-12-23)15-17-38-36(43)32(20-29-22-39-31-10-3-2-9-30(29)31)40-35(42)27-7-4-6-25(18-27)28-19-26-8-5-16-37-34(26)33(41)21-28/h1-21,23,25,36,42,45H,22,24H2,(H,43,47)(H,44,46);2-17,19,21,31,40,43H,18,20H2,1H3,(H,41,45)(H,42,44);3-18,20,22,32,38,42H,19,21H2,1-2H3,(H,39,44)(H,40,43);2*2-14,16,18-19,21-22,32,39,41H,15,17,20H2,1H3,(H,38,43)(H,40,42)
• InChIKey: MFMBYXKOINNJMR-UHFFFAOYSA-N
• XLogP: 32.16
• TPSA: 548.02 Ų
• H-Bond Donors: 20
• H-Bond Acceptors: 22
• Rotatable Bonds: 46
• Heavy Atoms: 223
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2958.42
LogP ≤ 5	32.16
H-Bond Donors ≤ 5	20
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[1-[[4-(1,1-difluoroethoxy)phenyl]methylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-3-(8-hydroxyquinolin-6-yl)benzamide;N-[1-[[4-(dimethylamino)phenyl]methylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-3-(8-hydroxyquinolin-6-yl)benzamide;bis(3-(8-hydroxyquinolin-6-yl)-N-[3-(1H-indol-3-yl)-1-[2-(4-methylphenyl)ethylamino]-1-oxopropan-2-yl]benzamide);3-(8-hydroxyquinolin-6-yl)-N-[3-(1H-indol-3-yl)-1-oxo-1-[(4-phenylphenyl)methylamino]propan-2-yl]benzamide?

The IUPAC name of N-[1-[[4-(1,1-difluoroethoxy)phenyl]methylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-3-(8-hydroxyquinolin-6-yl)benzamide;N-[1-[[4-(dimethylamino)phenyl]methylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-3-(8-hydroxyquinolin-6-yl)benzamide;bis(3-(8-hydroxyquinolin-6-yl)-N-[3-(1H-indol-3-yl)-1-[2-(4-methylphenyl)ethylamino]-1-oxopropan-2-yl]benzamide);3-(8-hydroxyquinolin-6-yl)-N-[3-(1H-indol-3-yl)-1-oxo-1-[(4-phenylphenyl)methylamino]propan-2-yl]benzamide (CID 167619445) is N-[1-[[4-(1,1-difluoroethoxy)phenyl]methylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-3-(8-hydroxyquinolin-6-yl)benzamide;N-[1-[[4-(dimethylamino)phenyl]methylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-3-(8-hydroxyquinolin-6-yl)benzamide;bis(3-(8-hydroxyquinolin-6-yl)-N-[3-(1H-indol-3-yl)-1-[2-(4-methylphenyl)ethylamino]-1-oxopropan-2-yl]benzamide);3-(8-hydroxyquinolin-6-yl)-N-[3-(1H-indol-3-yl)-1-oxo-1-[(4-phenylphenyl)methylamino]propan-2-yl]benzamide.

What is the SMILES notation for N-[1-[[4-(1,1-difluoroethoxy)phenyl]methylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-3-(8-hydroxyquinolin-6-yl)benzamide;N-[1-[[4-(dimethylamino)phenyl]methylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-3-(8-hydroxyquinolin-6-yl)benzamide;bis(3-(8-hydroxyquinolin-6-yl)-N-[3-(1H-indol-3-yl)-1-[2-(4-methylphenyl)ethylamino]-1-oxopropan-2-yl]benzamide);3-(8-hydroxyquinolin-6-yl)-N-[3-(1H-indol-3-yl)-1-oxo-1-[(4-phenylphenyl)methylamino]propan-2-yl]benzamide?

The canonical SMILES for N-[1-[[4-(1,1-difluoroethoxy)phenyl]methylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-3-(8-hydroxyquinolin-6-yl)benzamide;N-[1-[[4-(dimethylamino)phenyl]methylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-3-(8-hydroxyquinolin-6-yl)benzamide;bis(3-(8-hydroxyquinolin-6-yl)-N-[3-(1H-indol-3-yl)-1-[2-(4-methylphenyl)ethylamino]-1-oxopropan-2-yl]benzamide);3-(8-hydroxyquinolin-6-yl)-N-[3-(1H-indol-3-yl)-1-oxo-1-[(4-phenylphenyl)methylamino]propan-2-yl]benzamide is CC(F)(F)Oc1ccc(CNC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)c2cccc(-c3cc(O)c4ncccc4c3)c2)cc1.CN(C)c1ccc(CNC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)c2cccc(-c3cc(O)c4ncccc4c3)c2)cc1.Cc1ccc(CCNC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)c2cccc(-c3cc(O)c4ncccc4c3)c2)cc1.Cc1ccc(CCNC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)c2cccc(-c3cc(O)c4ncccc4c3)c2)cc1.O=C(NC(Cc1c[nH]c2ccccc12)C(=O)NCc1ccc(-c2ccccc2)cc1)c1cccc(-c2cc(O)c3ncccc3c2)c1.

What is the InChIKey of N-[1-[[4-(1,1-difluoroethoxy)phenyl]methylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-3-(8-hydroxyquinolin-6-yl)benzamide;N-[1-[[4-(dimethylamino)phenyl]methylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-3-(8-hydroxyquinolin-6-yl)benzamide;bis(3-(8-hydroxyquinolin-6-yl)-N-[3-(1H-indol-3-yl)-1-[2-(4-methylphenyl)ethylamino]-1-oxopropan-2-yl]benzamide);3-(8-hydroxyquinolin-6-yl)-N-[3-(1H-indol-3-yl)-1-oxo-1-[(4-phenylphenyl)methylamino]propan-2-yl]benzamide?

The InChIKey is MFMBYXKOINNJMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H32N4O3.C36H30F2N4O4.C36H33N5O3.2C36H32N4O3/c45-37-23-32(21-30-12-7-19-41-38(30)37)29-10-6-11-31(20-29)39(46)44-36(22-33-25-42-35-14-5-4-13-34(33)35)40(47)43-24-26-15-17-28(18-16-26)27-8-2-1-3-9-27;1-36(37,38)46-28-13-11-22(12-14-28)20-41-35(45)31(18-27-21-40-30-10-3-2-9-29(27)30)42-34(44)25-7-4-6-23(16-25)26-17-24-8-5-15-39-33(24)32(43)19-26;1-41(2)29-14-12-23(13-15-29)21-39-36(44)32(19-28-22-38-31-11-4-3-10-30(28)31)40-35(43)26-8-5-7-24(17-26)27-18-25-9-6-16-37-34(25)33(42)20-27;2*1-23-11-13-24(14-12-23)15-17-38-36(43)32(20-29-22-39-31-10-3-2-9-30(29)31)40-35(42)27-7-4-6-25(18-27)28-19-26-8-5-16-37-34(26)33(41)21-28/h1-21,23,25,36,42,45H,22,24H2,(H,43,47)(H,44,46);2-17,19,21,31,40,43H,18,20H2,1H3,(H,41,45)(H,42,44);3-18,20,22,32,38,42H,19,21H2,1-2H3,(H,39,44)(H,40,43);2*2-14,16,18-19,21-22,32,39,41H,15,17,20H2,1H3,(H,38,43)(H,40,42).

What are the key properties of N-[1-[[4-(1,1-difluoroethoxy)phenyl]methylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-3-(8-hydroxyquinolin-6-yl)benzamide;N-[1-[[4-(dimethylamino)phenyl]methylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-3-(8-hydroxyquinolin-6-yl)benzamide;bis(3-(8-hydroxyquinolin-6-yl)-N-[3-(1H-indol-3-yl)-1-[2-(4-methylphenyl)ethylamino]-1-oxopropan-2-yl]benzamide);3-(8-hydroxyquinolin-6-yl)-N-[3-(1H-indol-3-yl)-1-oxo-1-[(4-phenylphenyl)methylamino]propan-2-yl]benzamide?

N-[1-[[4-(1,1-difluoroethoxy)phenyl]methylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-3-(8-hydroxyquinolin-6-yl)benzamide;N-[1-[[4-(dimethylamino)phenyl]methylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-3-(8-hydroxyquinolin-6-yl)benzamide;bis(3-(8-hydroxyquinolin-6-yl)-N-[3-(1H-indol-3-yl)-1-[2-(4-methylphenyl)ethylamino]-1-oxopropan-2-yl]benzamide);3-(8-hydroxyquinolin-6-yl)-N-[3-(1H-indol-3-yl)-1-oxo-1-[(4-phenylphenyl)methylamino]propan-2-yl]benzamide has a molecular weight of 2958.42 g/mol, XLogP of 32.16, 46 rotatable bonds, 20 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[[4-(1,1-difluoroethoxy)phenyl]methylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-3-(8-hydroxyquinolin-6-yl)benzamide;N-[1-[[4-(dimethylamino)phenyl]methylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-3-(8-hydroxyquinolin-6-yl)benzamide;bis(3-(8-hydroxyquinolin-6-yl)-N-[3-(1H-indol-3-yl)-1-[2-(4-methylphenyl)ethylamino]-1-oxopropan-2-yl]benzamide);3-(8-hydroxyquinolin-6-yl)-N-[3-(1H-indol-3-yl)-1-oxo-1-[(4-phenylphenyl)methylamino]propan-2-yl]benzamide is sourced from PubChem (CID 167619445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).