2-(2,2-difluoro-1,3-benzodioxol-5-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(2,6-dimethoxy-1,2-dihydroquinolin-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(2-ethoxyquinolin-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;6-ethyl-3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-1H-quinolin-2-one;3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-6-methyl-1H-quinolin-2-one;4-[3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-6-methylquinolin-2-yl]morpholine;2-(2-methoxy-6-methylquinolin-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline

C166H117F2N35O9 — CID 162193573

About 2-(2,2-difluoro-1,3-benzodioxol-5-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(2,6-dimethoxy-1,2-dihydroquinolin-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(2-ethoxyquinolin-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;6-ethyl-3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-1H-quinolin-2-one;3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-6-methyl-1H-quinolin-2-one;4-[3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-6-methylquinolin-2-yl]morpholine;2-(2-methoxy-6-methylquinolin-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline

2-(2,2-difluoro-1,3-benzodioxol-5-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(2,6-dimethoxy-1,2-dihydroquinolin-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(2-ethoxyquinolin-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;6-ethyl-3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-1H-quinolin-2-one;3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-6-methyl-1H-quinolin-2-one;4-[3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-6-methylquinolin-2-yl]morpholine;2-(2-methoxy-6-methylquinolin-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline (PubChem CID 162193573) has the molecular formula C166H117F2N35O9 and a molecular weight of 2783.99 g/mol. Its IUPAC name is 2-(2,2-difluoro-1,3-benzodioxol-5-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(2,6-dimethoxy-1,2-dihydroquinolin-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(2-ethoxyquinolin-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;6-ethyl-3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-1H-quinolin-2-one;3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-6-methyl-1H-quinolin-2-one;4-[3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-6-methylquinolin-2-yl]morpholine;2-(2-methoxy-6-methylquinolin-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline.

Molecular Properties

• Compound Name: 2-(2,2-difluoro-1,3-benzodioxol-5-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(2,6-dimethoxy-1,2-dihydroquinolin-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(2-ethoxyquinolin-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;6-ethyl-3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-1H-quinolin-2-one;3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-6-methyl-1H-quinolin-2-one;4-[3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-6-methylquinolin-2-yl]morpholine;2-(2-methoxy-6-methylquinolin-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline
• PubChem CID: 162193573
• Molecular Formula: C166H117F2N35O9
• Molecular Weight: 2783.99 g/mol
• Exact Mass: 2781.97
• IUPAC Name: 2-(2,2-difluoro-1,3-benzodioxol-5-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(2,6-dimethoxy-1,2-dihydroquinolin-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(2-ethoxyquinolin-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;6-ethyl-3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-1H-quinolin-2-one;3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-6-methyl-1H-quinolin-2-one;4-[3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-6-methylquinolin-2-yl]morpholine;2-(2-methoxy-6-methylquinolin-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline
• SMILES: CCOc1nc2ccccc2cc1-c1nc2c3cccnc3c3ncccc3c2[nH]1.CCc1ccc2[nH]c(=O)c(-c3nc4c5cccnc5c5ncccc5c4[nH]3)cc2c1.COc1ccc2c(c1)C=C(c1nc3c4cccnc4c4ncccc4c3[nH]1)C(OC)N2.COc1nc2ccc(C)cc2cc1-c1nc2c3cccnc3c3ncccc3c2[nH]1.Cc1ccc2[nH]c(=O)c(-c3nc4c5cccnc5c5ncccc5c4[nH]3)cc2c1.Cc1ccc2nc(N3CCOCC3)c(-c3nc4c5cccnc5c5ncccc5c4[nH]3)cc2c1.FC1(F)Oc2ccc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)cc2O1
• InChI: InChI=1S/C27H22N6O.C24H19N5O2.3C24H17N5O.C23H15N5O.C20H10F2N4O2/c1-16-6-7-21-17(14-16)15-20(27(30-21)33-10-12-34-13-11-33)26-31-24-18-4-2-8-28-22(18)23-19(25(24)32-26)5-3-9-29-23;1-30-14-7-8-18-13(11-14)12-17(24(27-18)31-2)23-28-21-15-5-3-9-25-19(15)20-16(22(21)29-23)6-4-10-26-20;1-13-7-8-18-14(11-13)12-17(24(27-18)30-2)23-28-21-15-5-3-9-25-19(15)20-16(22(21)29-23)6-4-10-26-20;1-2-13-7-8-18-14(11-13)12-17(24(30)27-18)23-28-21-15-5-3-9-25-19(15)20-16(22(21)29-23)6-4-10-26-20;1-2-30-24-17(13-14-7-3-4-10-18(14)27-24)23-28-21-15-8-5-11-25-19(15)20-16(22(21)29-23)9-6-12-26-20;1-12-6-7-17-13(10-12)11-16(23(29)26-17)22-27-20-14-4-2-8-24-18(14)19-15(21(20)28-22)5-3-9-25-19;21-20(22)27-13-6-5-10(9-14(13)28-20)19-25-17-11-3-1-7-23-15(11)16-12(18(17)26-19)4-2-8-24-16/h2-9,14-15H,10-13H2,1H3,(H,31,32);3-12,24,27H,1-2H3,(H,28,29);3-12H,1-2H3,(H,28,29);3-12H,2H2,1H3,(H,27,30)(H,28,29);3-13H,2H2,1H3,(H,28,29);2-11H,1H3,(H,26,29)(H,27,28);1-9H,(H,25,26)
• InChIKey: ZQQJFSRQRAONJT-UHFFFAOYSA-N
• XLogP: 33.94
• TPSA: 565.49 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 35
• Rotatable Bonds: 14
• Heavy Atoms: 212
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2783.99
LogP ≤ 5	33.94
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoro-1,3-benzodioxol-5-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(2,6-dimethoxy-1,2-dihydroquinolin-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(2-ethoxyquinolin-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;6-ethyl-3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-1H-quinolin-2-one;3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-6-methyl-1H-quinolin-2-one;4-[3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-6-methylquinolin-2-yl]morpholine;2-(2-methoxy-6-methylquinolin-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline?

The IUPAC name of 2-(2,2-difluoro-1,3-benzodioxol-5-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(2,6-dimethoxy-1,2-dihydroquinolin-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(2-ethoxyquinolin-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;6-ethyl-3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-1H-quinolin-2-one;3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-6-methyl-1H-quinolin-2-one;4-[3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-6-methylquinolin-2-yl]morpholine;2-(2-methoxy-6-methylquinolin-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline (CID 162193573) is 2-(2,2-difluoro-1,3-benzodioxol-5-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(2,6-dimethoxy-1,2-dihydroquinolin-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(2-ethoxyquinolin-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;6-ethyl-3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-1H-quinolin-2-one;3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-6-methyl-1H-quinolin-2-one;4-[3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-6-methylquinolin-2-yl]morpholine;2-(2-methoxy-6-methylquinolin-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline.

What is the SMILES notation for 2-(2,2-difluoro-1,3-benzodioxol-5-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(2,6-dimethoxy-1,2-dihydroquinolin-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(2-ethoxyquinolin-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;6-ethyl-3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-1H-quinolin-2-one;3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-6-methyl-1H-quinolin-2-one;4-[3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-6-methylquinolin-2-yl]morpholine;2-(2-methoxy-6-methylquinolin-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline?

The canonical SMILES for 2-(2,2-difluoro-1,3-benzodioxol-5-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(2,6-dimethoxy-1,2-dihydroquinolin-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(2-ethoxyquinolin-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;6-ethyl-3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-1H-quinolin-2-one;3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-6-methyl-1H-quinolin-2-one;4-[3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-6-methylquinolin-2-yl]morpholine;2-(2-methoxy-6-methylquinolin-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline is CCOc1nc2ccccc2cc1-c1nc2c3cccnc3c3ncccc3c2[nH]1.CCc1ccc2[nH]c(=O)c(-c3nc4c5cccnc5c5ncccc5c4[nH]3)cc2c1.COc1ccc2c(c1)C=C(c1nc3c4cccnc4c4ncccc4c3[nH]1)C(OC)N2.COc1nc2ccc(C)cc2cc1-c1nc2c3cccnc3c3ncccc3c2[nH]1.Cc1ccc2[nH]c(=O)c(-c3nc4c5cccnc5c5ncccc5c4[nH]3)cc2c1.Cc1ccc2nc(N3CCOCC3)c(-c3nc4c5cccnc5c5ncccc5c4[nH]3)cc2c1.FC1(F)Oc2ccc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)cc2O1.

What is the InChIKey of 2-(2,2-difluoro-1,3-benzodioxol-5-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(2,6-dimethoxy-1,2-dihydroquinolin-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(2-ethoxyquinolin-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;6-ethyl-3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-1H-quinolin-2-one;3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-6-methyl-1H-quinolin-2-one;4-[3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-6-methylquinolin-2-yl]morpholine;2-(2-methoxy-6-methylquinolin-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline?

The InChIKey is ZQQJFSRQRAONJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N6O.C24H19N5O2.3C24H17N5O.C23H15N5O.C20H10F2N4O2/c1-16-6-7-21-17(14-16)15-20(27(30-21)33-10-12-34-13-11-33)26-31-24-18-4-2-8-28-22(18)23-19(25(24)32-26)5-3-9-29-23;1-30-14-7-8-18-13(11-14)12-17(24(27-18)31-2)23-28-21-15-5-3-9-25-19(15)20-16(22(21)29-23)6-4-10-26-20;1-13-7-8-18-14(11-13)12-17(24(27-18)30-2)23-28-21-15-5-3-9-25-19(15)20-16(22(21)29-23)6-4-10-26-20;1-2-13-7-8-18-14(11-13)12-17(24(30)27-18)23-28-21-15-5-3-9-25-19(15)20-16(22(21)29-23)6-4-10-26-20;1-2-30-24-17(13-14-7-3-4-10-18(14)27-24)23-28-21-15-8-5-11-25-19(15)20-16(22(21)29-23)9-6-12-26-20;1-12-6-7-17-13(10-12)11-16(23(29)26-17)22-27-20-14-4-2-8-24-18(14)19-15(21(20)28-22)5-3-9-25-19;21-20(22)27-13-6-5-10(9-14(13)28-20)19-25-17-11-3-1-7-23-15(11)16-12(18(17)26-19)4-2-8-24-16/h2-9,14-15H,10-13H2,1H3,(H,31,32);3-12,24,27H,1-2H3,(H,28,29);3-12H,1-2H3,(H,28,29);3-12H,2H2,1H3,(H,27,30)(H,28,29);3-13H,2H2,1H3,(H,28,29);2-11H,1H3,(H,26,29)(H,27,28);1-9H,(H,25,26).

What are the key properties of 2-(2,2-difluoro-1,3-benzodioxol-5-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(2,6-dimethoxy-1,2-dihydroquinolin-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(2-ethoxyquinolin-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;6-ethyl-3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-1H-quinolin-2-one;3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-6-methyl-1H-quinolin-2-one;4-[3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-6-methylquinolin-2-yl]morpholine;2-(2-methoxy-6-methylquinolin-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline?

2-(2,2-difluoro-1,3-benzodioxol-5-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(2,6-dimethoxy-1,2-dihydroquinolin-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(2-ethoxyquinolin-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;6-ethyl-3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-1H-quinolin-2-one;3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-6-methyl-1H-quinolin-2-one;4-[3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-6-methylquinolin-2-yl]morpholine;2-(2-methoxy-6-methylquinolin-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline has a molecular weight of 2783.99 g/mol, XLogP of 33.94, 14 rotatable bonds, 10 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,2-difluoro-1,3-benzodioxol-5-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(2,6-dimethoxy-1,2-dihydroquinolin-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;2-(2-ethoxyquinolin-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;6-ethyl-3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-1H-quinolin-2-one;3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-6-methyl-1H-quinolin-2-one;4-[3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-6-methylquinolin-2-yl]morpholine;2-(2-methoxy-6-methylquinolin-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline is sourced from PubChem (CID 162193573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).