7-[2-[3,4-bis(phenylmethoxy)phenyl]ethylamino]quinoline-5,8-dione;2-[2-(3-bromo-4-methylphenyl)ethyl]isoindole-1,3-dione;7-[2-(3,5-difluoro-4-hydroxyphenyl)ethylamino]quinoline-5,8-dione;7-[2-(5-fluoro-1H-indol-3-yl)ethylamino]quinoline-5,8-dione;7-[2-(5-hydroxy-1H-indol-3-yl)ethylamino]quinoline-5,8-dione;7-[2-(5-methoxy-1H-indol-3-yl)ethylamino]quinoline-5,8-dione;7-[2-(5-methyl-1H-indol-3-yl)ethylamino]quinoline-5,8-dione

C143H115BrF3N17O19 — CID 157101749

About 7-[2-[3,4-bis(phenylmethoxy)phenyl]ethylamino]quinoline-5,8-dione;2-[2-(3-bromo-4-methylphenyl)ethyl]isoindole-1,3-dione;7-[2-(3,5-difluoro-4-hydroxyphenyl)ethylamino]quinoline-5,8-dione;7-[2-(5-fluoro-1H-indol-3-yl)ethylamino]quinoline-5,8-dione;7-[2-(5-hydroxy-1H-indol-3-yl)ethylamino]quinoline-5,8-dione;7-[2-(5-methoxy-1H-indol-3-yl)ethylamino]quinoline-5,8-dione;7-[2-(5-methyl-1H-indol-3-yl)ethylamino]quinoline-5,8-dione

7-[2-[3,4-bis(phenylmethoxy)phenyl]ethylamino]quinoline-5,8-dione;2-[2-(3-bromo-4-methylphenyl)ethyl]isoindole-1,3-dione;7-[2-(3,5-difluoro-4-hydroxyphenyl)ethylamino]quinoline-5,8-dione;7-[2-(5-fluoro-1H-indol-3-yl)ethylamino]quinoline-5,8-dione;7-[2-(5-hydroxy-1H-indol-3-yl)ethylamino]quinoline-5,8-dione;7-[2-(5-methoxy-1H-indol-3-yl)ethylamino]quinoline-5,8-dione;7-[2-(5-methyl-1H-indol-3-yl)ethylamino]quinoline-5,8-dione (PubChem CID 157101749) has the molecular formula C143H115BrF3N17O19 and a molecular weight of 2512.49 g/mol. Its IUPAC name is 7-[2-[3,4-bis(phenylmethoxy)phenyl]ethylamino]quinoline-5,8-dione;2-[2-(3-bromo-4-methylphenyl)ethyl]isoindole-1,3-dione;7-[2-(3,5-difluoro-4-hydroxyphenyl)ethylamino]quinoline-5,8-dione;7-[2-(5-fluoro-1H-indol-3-yl)ethylamino]quinoline-5,8-dione;7-[2-(5-hydroxy-1H-indol-3-yl)ethylamino]quinoline-5,8-dione;7-[2-(5-methoxy-1H-indol-3-yl)ethylamino]quinoline-5,8-dione;7-[2-(5-methyl-1H-indol-3-yl)ethylamino]quinoline-5,8-dione.

Molecular Properties

• Compound Name: 7-[2-[3,4-bis(phenylmethoxy)phenyl]ethylamino]quinoline-5,8-dione;2-[2-(3-bromo-4-methylphenyl)ethyl]isoindole-1,3-dione;7-[2-(3,5-difluoro-4-hydroxyphenyl)ethylamino]quinoline-5,8-dione;7-[2-(5-fluoro-1H-indol-3-yl)ethylamino]quinoline-5,8-dione;7-[2-(5-hydroxy-1H-indol-3-yl)ethylamino]quinoline-5,8-dione;7-[2-(5-methoxy-1H-indol-3-yl)ethylamino]quinoline-5,8-dione;7-[2-(5-methyl-1H-indol-3-yl)ethylamino]quinoline-5,8-dione
• PubChem CID: 157101749
• Molecular Formula: C143H115BrF3N17O19
• Molecular Weight: 2512.49 g/mol
• Exact Mass: 2509.77
• IUPAC Name: 7-[2-[3,4-bis(phenylmethoxy)phenyl]ethylamino]quinoline-5,8-dione;2-[2-(3-bromo-4-methylphenyl)ethyl]isoindole-1,3-dione;7-[2-(3,5-difluoro-4-hydroxyphenyl)ethylamino]quinoline-5,8-dione;7-[2-(5-fluoro-1H-indol-3-yl)ethylamino]quinoline-5,8-dione;7-[2-(5-hydroxy-1H-indol-3-yl)ethylamino]quinoline-5,8-dione;7-[2-(5-methoxy-1H-indol-3-yl)ethylamino]quinoline-5,8-dione;7-[2-(5-methyl-1H-indol-3-yl)ethylamino]quinoline-5,8-dione
• SMILES: COc1ccc2[nH]cc(CCNC3=CC(=O)c4cccnc4C3=O)c2c1.Cc1ccc(CCN2C(=O)c3ccccc3C2=O)cc1Br.Cc1ccc2[nH]cc(CCNC3=CC(=O)c4cccnc4C3=O)c2c1.O=C1C=C(NCCc2c[nH]c3ccc(F)cc23)C(=O)c2ncccc21.O=C1C=C(NCCc2c[nH]c3ccc(O)cc23)C(=O)c2ncccc21.O=C1C=C(NCCc2cc(F)c(O)c(F)c2)C(=O)c2ncccc21.O=C1C=C(NCCc2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)C(=O)c2ncccc21
• InChI: InChI=1S/C31H26N2O4.C20H17N3O3.C20H17N3O2.C19H14FN3O2.C19H15N3O3.C17H14BrNO2.C17H12F2N2O3/c34-27-19-26(31(35)30-25(27)12-7-16-33-30)32-17-15-22-13-14-28(36-20-23-8-3-1-4-9-23)29(18-22)37-21-24-10-5-2-6-11-24;1-26-13-4-5-16-15(9-13)12(11-23-16)6-8-21-17-10-18(24)14-3-2-7-22-19(14)20(17)25;1-12-4-5-16-15(9-12)13(11-23-16)6-8-21-17-10-18(24)14-3-2-7-22-19(14)20(17)25;20-12-3-4-15-14(8-12)11(10-23-15)5-7-21-16-9-17(24)13-2-1-6-22-18(13)19(16)25;23-12-3-4-15-14(8-12)11(10-22-15)5-7-20-16-9-17(24)13-2-1-6-21-18(13)19(16)25;1-11-6-7-12(10-15(11)18)8-9-19-16(20)13-4-2-3-5-14(13)17(19)21;18-11-6-9(7-12(19)16(11)23)3-5-20-13-8-14(22)10-2-1-4-21-15(10)17(13)24/h1-14,16,18-19,32H,15,17,20-21H2;2-5,7,9-11,21,23H,6,8H2,1H3;2-5,7,9-11,21,23H,6,8H2,1H3;1-4,6,8-10,21,23H,5,7H2;1-4,6,8-10,20,22-23H,5,7H2;2-7,10H,8-9H2,1H3;1-2,4,6-8,20,23H,3,5H2
• InChIKey: AFVMWCTUWKKPGD-UHFFFAOYSA-N
• XLogP: 21.89
• TPSA: 523.05 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 31
• Rotatable Bonds: 34
• Heavy Atoms: 183
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2512.49
LogP ≤ 5	21.89
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-[2-[3,4-bis(phenylmethoxy)phenyl]ethylamino]quinoline-5,8-dione;2-[2-(3-bromo-4-methylphenyl)ethyl]isoindole-1,3-dione;7-[2-(3,5-difluoro-4-hydroxyphenyl)ethylamino]quinoline-5,8-dione;7-[2-(5-fluoro-1H-indol-3-yl)ethylamino]quinoline-5,8-dione;7-[2-(5-hydroxy-1H-indol-3-yl)ethylamino]quinoline-5,8-dione;7-[2-(5-methoxy-1H-indol-3-yl)ethylamino]quinoline-5,8-dione;7-[2-(5-methyl-1H-indol-3-yl)ethylamino]quinoline-5,8-dione?

The IUPAC name of 7-[2-[3,4-bis(phenylmethoxy)phenyl]ethylamino]quinoline-5,8-dione;2-[2-(3-bromo-4-methylphenyl)ethyl]isoindole-1,3-dione;7-[2-(3,5-difluoro-4-hydroxyphenyl)ethylamino]quinoline-5,8-dione;7-[2-(5-fluoro-1H-indol-3-yl)ethylamino]quinoline-5,8-dione;7-[2-(5-hydroxy-1H-indol-3-yl)ethylamino]quinoline-5,8-dione;7-[2-(5-methoxy-1H-indol-3-yl)ethylamino]quinoline-5,8-dione;7-[2-(5-methyl-1H-indol-3-yl)ethylamino]quinoline-5,8-dione (CID 157101749) is 7-[2-[3,4-bis(phenylmethoxy)phenyl]ethylamino]quinoline-5,8-dione;2-[2-(3-bromo-4-methylphenyl)ethyl]isoindole-1,3-dione;7-[2-(3,5-difluoro-4-hydroxyphenyl)ethylamino]quinoline-5,8-dione;7-[2-(5-fluoro-1H-indol-3-yl)ethylamino]quinoline-5,8-dione;7-[2-(5-hydroxy-1H-indol-3-yl)ethylamino]quinoline-5,8-dione;7-[2-(5-methoxy-1H-indol-3-yl)ethylamino]quinoline-5,8-dione;7-[2-(5-methyl-1H-indol-3-yl)ethylamino]quinoline-5,8-dione.

What is the SMILES notation for 7-[2-[3,4-bis(phenylmethoxy)phenyl]ethylamino]quinoline-5,8-dione;2-[2-(3-bromo-4-methylphenyl)ethyl]isoindole-1,3-dione;7-[2-(3,5-difluoro-4-hydroxyphenyl)ethylamino]quinoline-5,8-dione;7-[2-(5-fluoro-1H-indol-3-yl)ethylamino]quinoline-5,8-dione;7-[2-(5-hydroxy-1H-indol-3-yl)ethylamino]quinoline-5,8-dione;7-[2-(5-methoxy-1H-indol-3-yl)ethylamino]quinoline-5,8-dione;7-[2-(5-methyl-1H-indol-3-yl)ethylamino]quinoline-5,8-dione?

The canonical SMILES for 7-[2-[3,4-bis(phenylmethoxy)phenyl]ethylamino]quinoline-5,8-dione;2-[2-(3-bromo-4-methylphenyl)ethyl]isoindole-1,3-dione;7-[2-(3,5-difluoro-4-hydroxyphenyl)ethylamino]quinoline-5,8-dione;7-[2-(5-fluoro-1H-indol-3-yl)ethylamino]quinoline-5,8-dione;7-[2-(5-hydroxy-1H-indol-3-yl)ethylamino]quinoline-5,8-dione;7-[2-(5-methoxy-1H-indol-3-yl)ethylamino]quinoline-5,8-dione;7-[2-(5-methyl-1H-indol-3-yl)ethylamino]quinoline-5,8-dione is COc1ccc2[nH]cc(CCNC3=CC(=O)c4cccnc4C3=O)c2c1.Cc1ccc(CCN2C(=O)c3ccccc3C2=O)cc1Br.Cc1ccc2[nH]cc(CCNC3=CC(=O)c4cccnc4C3=O)c2c1.O=C1C=C(NCCc2c[nH]c3ccc(F)cc23)C(=O)c2ncccc21.O=C1C=C(NCCc2c[nH]c3ccc(O)cc23)C(=O)c2ncccc21.O=C1C=C(NCCc2cc(F)c(O)c(F)c2)C(=O)c2ncccc21.O=C1C=C(NCCc2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)C(=O)c2ncccc21.

What is the InChIKey of 7-[2-[3,4-bis(phenylmethoxy)phenyl]ethylamino]quinoline-5,8-dione;2-[2-(3-bromo-4-methylphenyl)ethyl]isoindole-1,3-dione;7-[2-(3,5-difluoro-4-hydroxyphenyl)ethylamino]quinoline-5,8-dione;7-[2-(5-fluoro-1H-indol-3-yl)ethylamino]quinoline-5,8-dione;7-[2-(5-hydroxy-1H-indol-3-yl)ethylamino]quinoline-5,8-dione;7-[2-(5-methoxy-1H-indol-3-yl)ethylamino]quinoline-5,8-dione;7-[2-(5-methyl-1H-indol-3-yl)ethylamino]quinoline-5,8-dione?

The InChIKey is AFVMWCTUWKKPGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26N2O4.C20H17N3O3.C20H17N3O2.C19H14FN3O2.C19H15N3O3.C17H14BrNO2.C17H12F2N2O3/c34-27-19-26(31(35)30-25(27)12-7-16-33-30)32-17-15-22-13-14-28(36-20-23-8-3-1-4-9-23)29(18-22)37-21-24-10-5-2-6-11-24;1-26-13-4-5-16-15(9-13)12(11-23-16)6-8-21-17-10-18(24)14-3-2-7-22-19(14)20(17)25;1-12-4-5-16-15(9-12)13(11-23-16)6-8-21-17-10-18(24)14-3-2-7-22-19(14)20(17)25;20-12-3-4-15-14(8-12)11(10-23-15)5-7-21-16-9-17(24)13-2-1-6-22-18(13)19(16)25;23-12-3-4-15-14(8-12)11(10-22-15)5-7-20-16-9-17(24)13-2-1-6-21-18(13)19(16)25;1-11-6-7-12(10-15(11)18)8-9-19-16(20)13-4-2-3-5-14(13)17(19)21;18-11-6-9(7-12(19)16(11)23)3-5-20-13-8-14(22)10-2-1-4-21-15(10)17(13)24/h1-14,16,18-19,32H,15,17,20-21H2;2-5,7,9-11,21,23H,6,8H2,1H3;2-5,7,9-11,21,23H,6,8H2,1H3;1-4,6,8-10,21,23H,5,7H2;1-4,6,8-10,20,22-23H,5,7H2;2-7,10H,8-9H2,1H3;1-2,4,6-8,20,23H,3,5H2.

What are the key properties of 7-[2-[3,4-bis(phenylmethoxy)phenyl]ethylamino]quinoline-5,8-dione;2-[2-(3-bromo-4-methylphenyl)ethyl]isoindole-1,3-dione;7-[2-(3,5-difluoro-4-hydroxyphenyl)ethylamino]quinoline-5,8-dione;7-[2-(5-fluoro-1H-indol-3-yl)ethylamino]quinoline-5,8-dione;7-[2-(5-hydroxy-1H-indol-3-yl)ethylamino]quinoline-5,8-dione;7-[2-(5-methoxy-1H-indol-3-yl)ethylamino]quinoline-5,8-dione;7-[2-(5-methyl-1H-indol-3-yl)ethylamino]quinoline-5,8-dione?

7-[2-[3,4-bis(phenylmethoxy)phenyl]ethylamino]quinoline-5,8-dione;2-[2-(3-bromo-4-methylphenyl)ethyl]isoindole-1,3-dione;7-[2-(3,5-difluoro-4-hydroxyphenyl)ethylamino]quinoline-5,8-dione;7-[2-(5-fluoro-1H-indol-3-yl)ethylamino]quinoline-5,8-dione;7-[2-(5-hydroxy-1H-indol-3-yl)ethylamino]quinoline-5,8-dione;7-[2-(5-methoxy-1H-indol-3-yl)ethylamino]quinoline-5,8-dione;7-[2-(5-methyl-1H-indol-3-yl)ethylamino]quinoline-5,8-dione has a molecular weight of 2512.49 g/mol, XLogP of 21.89, 34 rotatable bonds, 12 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[2-[3,4-bis(phenylmethoxy)phenyl]ethylamino]quinoline-5,8-dione;2-[2-(3-bromo-4-methylphenyl)ethyl]isoindole-1,3-dione;7-[2-(3,5-difluoro-4-hydroxyphenyl)ethylamino]quinoline-5,8-dione;7-[2-(5-fluoro-1H-indol-3-yl)ethylamino]quinoline-5,8-dione;7-[2-(5-hydroxy-1H-indol-3-yl)ethylamino]quinoline-5,8-dione;7-[2-(5-methoxy-1H-indol-3-yl)ethylamino]quinoline-5,8-dione;7-[2-(5-methyl-1H-indol-3-yl)ethylamino]quinoline-5,8-dione is sourced from PubChem (CID 157101749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).