9-(1-benzothiophen-3-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;1-[4-[4-(hydroxymethyl)phenyl]-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;1-[4-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;N-(1-methylpiperidin-4-yl)-4-[4-(2-oxo-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-1-yl)-2-(trifluoromethyl)phenyl]benzamide;1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-9-pyridin-3-ylbenzo[h][1,6]naphthyridin-2-one

C175H129F15N22O8S — CID 159112638

About 9-(1-benzothiophen-3-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;1-[4-[4-(hydroxymethyl)phenyl]-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;1-[4-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;N-(1-methylpiperidin-4-yl)-4-[4-(2-oxo-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-1-yl)-2-(trifluoromethyl)phenyl]benzamide;1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-9-pyridin-3-ylbenzo[h][1,6]naphthyridin-2-one

9-(1-benzothiophen-3-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;1-[4-[4-(hydroxymethyl)phenyl]-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;1-[4-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;N-(1-methylpiperidin-4-yl)-4-[4-(2-oxo-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-1-yl)-2-(trifluoromethyl)phenyl]benzamide;1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-9-pyridin-3-ylbenzo[h][1,6]naphthyridin-2-one (PubChem CID 159112638) has the molecular formula C175H129F15N22O8S and a molecular weight of 2985.14 g/mol. Its IUPAC name is 9-(1-benzothiophen-3-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;1-[4-[4-(hydroxymethyl)phenyl]-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;1-[4-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;N-(1-methylpiperidin-4-yl)-4-[4-(2-oxo-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-1-yl)-2-(trifluoromethyl)phenyl]benzamide;1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-9-pyridin-3-ylbenzo[h][1,6]naphthyridin-2-one.

Molecular Properties

• Compound Name: 9-(1-benzothiophen-3-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;1-[4-[4-(hydroxymethyl)phenyl]-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;1-[4-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;N-(1-methylpiperidin-4-yl)-4-[4-(2-oxo-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-1-yl)-2-(trifluoromethyl)phenyl]benzamide;1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-9-pyridin-3-ylbenzo[h][1,6]naphthyridin-2-one
• PubChem CID: 159112638
• Molecular Formula: C175H129F15N22O8S
• Molecular Weight: 2985.14 g/mol
• Exact Mass: 2982.98
• IUPAC Name: 9-(1-benzothiophen-3-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;1-[4-[4-(hydroxymethyl)phenyl]-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;1-[4-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;N-(1-methylpiperidin-4-yl)-4-[4-(2-oxo-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-1-yl)-2-(trifluoromethyl)phenyl]benzamide;1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-9-pyridin-3-ylbenzo[h][1,6]naphthyridin-2-one
• SMILES: CN1CCC(NC(=O)c2ccc(-c3ccc(-n4c(=O)ccc5cnc6ccc(-c7cnc8ccccc8c7)cc6c54)cc3C(F)(F)F)cc2)CC1.CN1CCN(C(=O)c2ccc(-c3ccc(-n4c(=O)ccc5cnc6ccc(-c7cnc8ccccc8c7)cc6c54)cc3C(F)(F)F)cc2)CC1.O=c1ccc2cnc3ccc(-c4cccnc4)cc3c2n1-c1ccc(N2CCNCC2)c(C(F)(F)F)c1.O=c1ccc2cnc3ccc(-c4cnc5ccccc5c4)cc3c2n1-c1ccc(-c2ccc(CO)cc2)c(C(F)(F)F)c1.O=c1ccc2cnc3ccc(-c4csc5ccccc45)cc3c2n1-c1ccc(N2CCNCC2)c(C(F)(F)F)c1
• InChI: InChI=1S/C41H32F3N5O2.C40H30F3N5O2.C35H22F3N3O2.C31H23F3N4OS.C28H22F3N5O/c1-48-18-16-31(17-19-48)47-40(51)26-8-6-25(7-9-26)33-13-12-32(22-35(33)41(42,43)44)49-38(50)15-11-29-23-46-37-14-10-27(21-34(37)39(29)49)30-20-28-4-2-3-5-36(28)45-24-30;1-46-16-18-47(19-17-46)39(50)26-8-6-25(7-9-26)32-13-12-31(22-34(32)40(41,42)43)48-37(49)15-11-29-23-45-36-14-10-27(21-33(36)38(29)48)30-20-28-4-2-3-5-35(28)44-24-30;36-35(37,38)30-17-27(11-12-28(30)22-7-5-21(20-42)6-8-22)41-33(43)14-10-25-18-40-32-13-9-23(16-29(32)34(25)41)26-15-24-3-1-2-4-31(24)39-19-26;32-31(33,34)25-16-21(7-9-27(25)37-13-11-35-12-14-37)38-29(39)10-6-20-17-36-26-8-5-19(15-23(26)30(20)38)24-18-40-28-4-2-1-3-22(24)28;29-28(30,31)23-15-21(5-7-25(23)35-12-10-32-11-13-35)36-26(37)8-4-20-17-34-24-6-3-18(14-22(24)27(20)36)19-2-1-9-33-16-19/h2-15,20-24,31H,16-19H2,1H3,(H,47,51);2-15,20-24H,16-19H2,1H3;1-19,42H,20H2;1-10,15-18,35H,11-14H2;1-9,14-17,32H,10-13H2
• InChIKey: KEROKZDGUBIHDK-UHFFFAOYSA-N
• XLogP: 35.90
• TPSA: 332.67 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 29
• Rotatable Bonds: 19
• Heavy Atoms: 221
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2985.14
LogP ≤ 5	35.90
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	29

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 9-(1-benzothiophen-3-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;1-[4-[4-(hydroxymethyl)phenyl]-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;1-[4-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;N-(1-methylpiperidin-4-yl)-4-[4-(2-oxo-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-1-yl)-2-(trifluoromethyl)phenyl]benzamide;1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-9-pyridin-3-ylbenzo[h][1,6]naphthyridin-2-one?

The IUPAC name of 9-(1-benzothiophen-3-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;1-[4-[4-(hydroxymethyl)phenyl]-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;1-[4-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;N-(1-methylpiperidin-4-yl)-4-[4-(2-oxo-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-1-yl)-2-(trifluoromethyl)phenyl]benzamide;1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-9-pyridin-3-ylbenzo[h][1,6]naphthyridin-2-one (CID 159112638) is 9-(1-benzothiophen-3-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;1-[4-[4-(hydroxymethyl)phenyl]-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;1-[4-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;N-(1-methylpiperidin-4-yl)-4-[4-(2-oxo-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-1-yl)-2-(trifluoromethyl)phenyl]benzamide;1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-9-pyridin-3-ylbenzo[h][1,6]naphthyridin-2-one.

What is the SMILES notation for 9-(1-benzothiophen-3-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;1-[4-[4-(hydroxymethyl)phenyl]-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;1-[4-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;N-(1-methylpiperidin-4-yl)-4-[4-(2-oxo-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-1-yl)-2-(trifluoromethyl)phenyl]benzamide;1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-9-pyridin-3-ylbenzo[h][1,6]naphthyridin-2-one?

The canonical SMILES for 9-(1-benzothiophen-3-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;1-[4-[4-(hydroxymethyl)phenyl]-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;1-[4-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;N-(1-methylpiperidin-4-yl)-4-[4-(2-oxo-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-1-yl)-2-(trifluoromethyl)phenyl]benzamide;1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-9-pyridin-3-ylbenzo[h][1,6]naphthyridin-2-one is CN1CCC(NC(=O)c2ccc(-c3ccc(-n4c(=O)ccc5cnc6ccc(-c7cnc8ccccc8c7)cc6c54)cc3C(F)(F)F)cc2)CC1.CN1CCN(C(=O)c2ccc(-c3ccc(-n4c(=O)ccc5cnc6ccc(-c7cnc8ccccc8c7)cc6c54)cc3C(F)(F)F)cc2)CC1.O=c1ccc2cnc3ccc(-c4cccnc4)cc3c2n1-c1ccc(N2CCNCC2)c(C(F)(F)F)c1.O=c1ccc2cnc3ccc(-c4cnc5ccccc5c4)cc3c2n1-c1ccc(-c2ccc(CO)cc2)c(C(F)(F)F)c1.O=c1ccc2cnc3ccc(-c4csc5ccccc45)cc3c2n1-c1ccc(N2CCNCC2)c(C(F)(F)F)c1.

What is the InChIKey of 9-(1-benzothiophen-3-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;1-[4-[4-(hydroxymethyl)phenyl]-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;1-[4-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;N-(1-methylpiperidin-4-yl)-4-[4-(2-oxo-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-1-yl)-2-(trifluoromethyl)phenyl]benzamide;1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-9-pyridin-3-ylbenzo[h][1,6]naphthyridin-2-one?

The InChIKey is KEROKZDGUBIHDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H32F3N5O2.C40H30F3N5O2.C35H22F3N3O2.C31H23F3N4OS.C28H22F3N5O/c1-48-18-16-31(17-19-48)47-40(51)26-8-6-25(7-9-26)33-13-12-32(22-35(33)41(42,43)44)49-38(50)15-11-29-23-46-37-14-10-27(21-34(37)39(29)49)30-20-28-4-2-3-5-36(28)45-24-30;1-46-16-18-47(19-17-46)39(50)26-8-6-25(7-9-26)32-13-12-31(22-34(32)40(41,42)43)48-37(49)15-11-29-23-45-36-14-10-27(21-33(36)38(29)48)30-20-28-4-2-3-5-35(28)44-24-30;36-35(37,38)30-17-27(11-12-28(30)22-7-5-21(20-42)6-8-22)41-33(43)14-10-25-18-40-32-13-9-23(16-29(32)34(25)41)26-15-24-3-1-2-4-31(24)39-19-26;32-31(33,34)25-16-21(7-9-27(25)37-13-11-35-12-14-37)38-29(39)10-6-20-17-36-26-8-5-19(15-23(26)30(20)38)24-18-40-28-4-2-1-3-22(24)28;29-28(30,31)23-15-21(5-7-25(23)35-12-10-32-11-13-35)36-26(37)8-4-20-17-34-24-6-3-18(14-22(24)27(20)36)19-2-1-9-33-16-19/h2-15,20-24,31H,16-19H2,1H3,(H,47,51);2-15,20-24H,16-19H2,1H3;1-19,42H,20H2;1-10,15-18,35H,11-14H2;1-9,14-17,32H,10-13H2.

What are the key properties of 9-(1-benzothiophen-3-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;1-[4-[4-(hydroxymethyl)phenyl]-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;1-[4-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;N-(1-methylpiperidin-4-yl)-4-[4-(2-oxo-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-1-yl)-2-(trifluoromethyl)phenyl]benzamide;1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-9-pyridin-3-ylbenzo[h][1,6]naphthyridin-2-one?

9-(1-benzothiophen-3-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;1-[4-[4-(hydroxymethyl)phenyl]-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;1-[4-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;N-(1-methylpiperidin-4-yl)-4-[4-(2-oxo-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-1-yl)-2-(trifluoromethyl)phenyl]benzamide;1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-9-pyridin-3-ylbenzo[h][1,6]naphthyridin-2-one has a molecular weight of 2985.14 g/mol, XLogP of 35.90, 19 rotatable bonds, 4 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(1-benzothiophen-3-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;1-[4-[4-(hydroxymethyl)phenyl]-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;1-[4-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;N-(1-methylpiperidin-4-yl)-4-[4-(2-oxo-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-1-yl)-2-(trifluoromethyl)phenyl]benzamide;1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-9-pyridin-3-ylbenzo[h][1,6]naphthyridin-2-one is sourced from PubChem (CID 159112638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).