1-(4-fluorophenyl)-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;1-[4-(4-methylimidazol-1-yl)-3-(trifluoromethyl)phenyl]-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-[4-(4-methylimidazol-1-yl)-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;N-(1-methylpiperidin-4-yl)-1-[4-(3-oxo-9-quinolin-3-yl-2,4-dihydropyrazino[2,3-c]quinolin-1-yl)-2-(trifluoromethyl)phenyl]piperidine-4-carboxamide

C124H91F10N21O5 — CID 158075108

About 1-(4-fluorophenyl)-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;1-[4-(4-methylimidazol-1-yl)-3-(trifluoromethyl)phenyl]-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-[4-(4-methylimidazol-1-yl)-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;N-(1-methylpiperidin-4-yl)-1-[4-(3-oxo-9-quinolin-3-yl-2,4-dihydropyrazino[2,3-c]quinolin-1-yl)-2-(trifluoromethyl)phenyl]piperidine-4-carboxamide

1-(4-fluorophenyl)-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;1-[4-(4-methylimidazol-1-yl)-3-(trifluoromethyl)phenyl]-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-[4-(4-methylimidazol-1-yl)-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;N-(1-methylpiperidin-4-yl)-1-[4-(3-oxo-9-quinolin-3-yl-2,4-dihydropyrazino[2,3-c]quinolin-1-yl)-2-(trifluoromethyl)phenyl]piperidine-4-carboxamide (PubChem CID 158075108) has the molecular formula C124H91F10N21O5 and a molecular weight of 2145.21 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;1-[4-(4-methylimidazol-1-yl)-3-(trifluoromethyl)phenyl]-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-[4-(4-methylimidazol-1-yl)-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;N-(1-methylpiperidin-4-yl)-1-[4-(3-oxo-9-quinolin-3-yl-2,4-dihydropyrazino[2,3-c]quinolin-1-yl)-2-(trifluoromethyl)phenyl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-(4-fluorophenyl)-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;1-[4-(4-methylimidazol-1-yl)-3-(trifluoromethyl)phenyl]-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-[4-(4-methylimidazol-1-yl)-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;N-(1-methylpiperidin-4-yl)-1-[4-(3-oxo-9-quinolin-3-yl-2,4-dihydropyrazino[2,3-c]quinolin-1-yl)-2-(trifluoromethyl)phenyl]piperidine-4-carboxamide
• PubChem CID: 158075108
• Molecular Formula: C124H91F10N21O5
• Molecular Weight: 2145.21 g/mol
• Exact Mass: 2143.74
• IUPAC Name: 1-(4-fluorophenyl)-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;1-[4-(4-methylimidazol-1-yl)-3-(trifluoromethyl)phenyl]-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-[4-(4-methylimidazol-1-yl)-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;N-(1-methylpiperidin-4-yl)-1-[4-(3-oxo-9-quinolin-3-yl-2,4-dihydropyrazino[2,3-c]quinolin-1-yl)-2-(trifluoromethyl)phenyl]piperidine-4-carboxamide
• SMILES: CN1CCC(NC(=O)C2CCN(c3ccc(N4CC(=O)Nc5cnc6ccc(-c7cnc8ccccc8c7)cc6c54)cc3C(F)(F)F)CC2)CC1.Cc1cn(-c2ccc(-n3c(=O)ccc4cnc5ccc(-c6cn[nH]c6)cc5c43)cc2C(F)(F)F)cn1.Cc1cn(-c2ccc(-n3c(=O)ccc4cnc5ccc(-c6cnc7ccccc7c6)cc5c43)cc2C(F)(F)F)cn1.O=c1ccc2cnc3ccc(-c4cnc5ccccc5c4)cc3c2n1-c1ccc(F)cc1
• InChI: InChI=1S/C39H38F3N7O2.C32H20F3N5O.C27H16FN3O.C26H17F3N6O/c1-47-14-12-28(13-15-47)45-38(51)24-10-16-48(17-11-24)35-9-7-29(20-31(35)39(40,41)42)49-23-36(50)46-34-22-44-33-8-6-25(19-30(33)37(34)49)27-18-26-4-2-3-5-32(26)43-21-27;1-19-17-39(18-38-19)29-10-8-24(14-26(29)32(33,34)35)40-30(41)11-7-22-15-37-28-9-6-20(13-25(28)31(22)40)23-12-21-4-2-3-5-27(21)36-16-23;28-21-7-9-22(10-8-21)31-26(32)12-6-19-15-30-25-11-5-17(14-23(25)27(19)31)20-13-18-3-1-2-4-24(18)29-16-20;1-15-13-34(14-31-15)23-6-4-19(9-21(23)26(27,28)29)35-24(36)7-3-17-10-30-22-5-2-16(8-20(22)25(17)35)18-11-32-33-12-18/h2-9,18-22,24,28H,10-17,23H2,1H3,(H,45,51)(H,46,50);2-18H,1H3;1-16H;2-14H,1H3,(H,32,33)
• InChIKey: FMGSWKIMCRMLHF-UHFFFAOYSA-N
• XLogP: 25.59
• TPSA: 288.47 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 23
• Rotatable Bonds: 13
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2145.21
LogP ≤ 5	25.59
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;1-[4-(4-methylimidazol-1-yl)-3-(trifluoromethyl)phenyl]-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-[4-(4-methylimidazol-1-yl)-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;N-(1-methylpiperidin-4-yl)-1-[4-(3-oxo-9-quinolin-3-yl-2,4-dihydropyrazino[2,3-c]quinolin-1-yl)-2-(trifluoromethyl)phenyl]piperidine-4-carboxamide?

The IUPAC name of 1-(4-fluorophenyl)-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;1-[4-(4-methylimidazol-1-yl)-3-(trifluoromethyl)phenyl]-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-[4-(4-methylimidazol-1-yl)-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;N-(1-methylpiperidin-4-yl)-1-[4-(3-oxo-9-quinolin-3-yl-2,4-dihydropyrazino[2,3-c]quinolin-1-yl)-2-(trifluoromethyl)phenyl]piperidine-4-carboxamide (CID 158075108) is 1-(4-fluorophenyl)-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;1-[4-(4-methylimidazol-1-yl)-3-(trifluoromethyl)phenyl]-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-[4-(4-methylimidazol-1-yl)-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;N-(1-methylpiperidin-4-yl)-1-[4-(3-oxo-9-quinolin-3-yl-2,4-dihydropyrazino[2,3-c]quinolin-1-yl)-2-(trifluoromethyl)phenyl]piperidine-4-carboxamide.

What is the SMILES notation for 1-(4-fluorophenyl)-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;1-[4-(4-methylimidazol-1-yl)-3-(trifluoromethyl)phenyl]-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-[4-(4-methylimidazol-1-yl)-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;N-(1-methylpiperidin-4-yl)-1-[4-(3-oxo-9-quinolin-3-yl-2,4-dihydropyrazino[2,3-c]quinolin-1-yl)-2-(trifluoromethyl)phenyl]piperidine-4-carboxamide?

The canonical SMILES for 1-(4-fluorophenyl)-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;1-[4-(4-methylimidazol-1-yl)-3-(trifluoromethyl)phenyl]-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-[4-(4-methylimidazol-1-yl)-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;N-(1-methylpiperidin-4-yl)-1-[4-(3-oxo-9-quinolin-3-yl-2,4-dihydropyrazino[2,3-c]quinolin-1-yl)-2-(trifluoromethyl)phenyl]piperidine-4-carboxamide is CN1CCC(NC(=O)C2CCN(c3ccc(N4CC(=O)Nc5cnc6ccc(-c7cnc8ccccc8c7)cc6c54)cc3C(F)(F)F)CC2)CC1.Cc1cn(-c2ccc(-n3c(=O)ccc4cnc5ccc(-c6cn[nH]c6)cc5c43)cc2C(F)(F)F)cn1.Cc1cn(-c2ccc(-n3c(=O)ccc4cnc5ccc(-c6cnc7ccccc7c6)cc5c43)cc2C(F)(F)F)cn1.O=c1ccc2cnc3ccc(-c4cnc5ccccc5c4)cc3c2n1-c1ccc(F)cc1.

What is the InChIKey of 1-(4-fluorophenyl)-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;1-[4-(4-methylimidazol-1-yl)-3-(trifluoromethyl)phenyl]-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-[4-(4-methylimidazol-1-yl)-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;N-(1-methylpiperidin-4-yl)-1-[4-(3-oxo-9-quinolin-3-yl-2,4-dihydropyrazino[2,3-c]quinolin-1-yl)-2-(trifluoromethyl)phenyl]piperidine-4-carboxamide?

The InChIKey is FMGSWKIMCRMLHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H38F3N7O2.C32H20F3N5O.C27H16FN3O.C26H17F3N6O/c1-47-14-12-28(13-15-47)45-38(51)24-10-16-48(17-11-24)35-9-7-29(20-31(35)39(40,41)42)49-23-36(50)46-34-22-44-33-8-6-25(19-30(33)37(34)49)27-18-26-4-2-3-5-32(26)43-21-27;1-19-17-39(18-38-19)29-10-8-24(14-26(29)32(33,34)35)40-30(41)11-7-22-15-37-28-9-6-20(13-25(28)31(22)40)23-12-21-4-2-3-5-27(21)36-16-23;28-21-7-9-22(10-8-21)31-26(32)12-6-19-15-30-25-11-5-17(14-23(25)27(19)31)20-13-18-3-1-2-4-24(18)29-16-20;1-15-13-34(14-31-15)23-6-4-19(9-21(23)26(27,28)29)35-24(36)7-3-17-10-30-22-5-2-16(8-20(22)25(17)35)18-11-32-33-12-18/h2-9,18-22,24,28H,10-17,23H2,1H3,(H,45,51)(H,46,50);2-18H,1H3;1-16H;2-14H,1H3,(H,32,33).

What are the key properties of 1-(4-fluorophenyl)-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;1-[4-(4-methylimidazol-1-yl)-3-(trifluoromethyl)phenyl]-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-[4-(4-methylimidazol-1-yl)-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;N-(1-methylpiperidin-4-yl)-1-[4-(3-oxo-9-quinolin-3-yl-2,4-dihydropyrazino[2,3-c]quinolin-1-yl)-2-(trifluoromethyl)phenyl]piperidine-4-carboxamide?

1-(4-fluorophenyl)-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;1-[4-(4-methylimidazol-1-yl)-3-(trifluoromethyl)phenyl]-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-[4-(4-methylimidazol-1-yl)-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;N-(1-methylpiperidin-4-yl)-1-[4-(3-oxo-9-quinolin-3-yl-2,4-dihydropyrazino[2,3-c]quinolin-1-yl)-2-(trifluoromethyl)phenyl]piperidine-4-carboxamide has a molecular weight of 2145.21 g/mol, XLogP of 25.59, 13 rotatable bonds, 3 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-fluorophenyl)-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;1-[4-(4-methylimidazol-1-yl)-3-(trifluoromethyl)phenyl]-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one;1-[4-(4-methylimidazol-1-yl)-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;N-(1-methylpiperidin-4-yl)-1-[4-(3-oxo-9-quinolin-3-yl-2,4-dihydropyrazino[2,3-c]quinolin-1-yl)-2-(trifluoromethyl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 158075108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).