N-[2-(dimethylamino)ethyl]-1-[4-(2-oxo-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-1-yl)-2-(trifluoromethyl)phenyl]piperidine-4-carboxamide;9-(furan-3-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;9-(5-hydroxy-1H-indol-2-yl)-1-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;3-methyl-1-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-9-thiophen-3-ylbenzo[h][1,6]naphthyridin-2-one

C162H135F15N24O10S — CID 158289771

About N-[2-(dimethylamino)ethyl]-1-[4-(2-oxo-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-1-yl)-2-(trifluoromethyl)phenyl]piperidine-4-carboxamide;9-(furan-3-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;9-(5-hydroxy-1H-indol-2-yl)-1-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;3-methyl-1-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-9-thiophen-3-ylbenzo[h][1,6]naphthyridin-2-one

N-[2-(dimethylamino)ethyl]-1-[4-(2-oxo-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-1-yl)-2-(trifluoromethyl)phenyl]piperidine-4-carboxamide;9-(furan-3-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;9-(5-hydroxy-1H-indol-2-yl)-1-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;3-methyl-1-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-9-thiophen-3-ylbenzo[h][1,6]naphthyridin-2-one (PubChem CID 158289771) has the molecular formula C162H135F15N24O10S and a molecular weight of 2895.06 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-1-[4-(2-oxo-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-1-yl)-2-(trifluoromethyl)phenyl]piperidine-4-carboxamide;9-(furan-3-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;9-(5-hydroxy-1H-indol-2-yl)-1-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;3-methyl-1-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-9-thiophen-3-ylbenzo[h][1,6]naphthyridin-2-one.

Molecular Properties

• Compound Name: N-[2-(dimethylamino)ethyl]-1-[4-(2-oxo-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-1-yl)-2-(trifluoromethyl)phenyl]piperidine-4-carboxamide;9-(furan-3-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;9-(5-hydroxy-1H-indol-2-yl)-1-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;3-methyl-1-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-9-thiophen-3-ylbenzo[h][1,6]naphthyridin-2-one
• PubChem CID: 158289771
• Molecular Formula: C162H135F15N24O10S
• Molecular Weight: 2895.06 g/mol
• Exact Mass: 2893.03
• IUPAC Name: N-[2-(dimethylamino)ethyl]-1-[4-(2-oxo-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-1-yl)-2-(trifluoromethyl)phenyl]piperidine-4-carboxamide;9-(furan-3-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;9-(5-hydroxy-1H-indol-2-yl)-1-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;3-methyl-1-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-9-thiophen-3-ylbenzo[h][1,6]naphthyridin-2-one
• SMILES: CCC(=O)N1CCN(c2ccc(-n3c(=O)c(C)cc4cnc5ccc(-c6cnc7ccccc7c6)cc5c43)cc2C(F)(F)F)CC1.CCC(=O)N1CCN(c2ccc(-n3c(=O)ccc4cnc5ccc(-c6cc7cc(O)ccc7[nH]6)cc5c43)cc2C(F)(F)F)CC1.CN(C)CCNC(=O)C1CCN(c2ccc(-n3c(=O)ccc4cnc5ccc(-c6cnc7ccccc7c6)cc5c43)cc2C(F)(F)F)CC1.O=c1ccc2cnc3ccc(-c4ccoc4)cc3c2n1-c1ccc(N2CCNCC2)c(C(F)(F)F)c1.O=c1ccc2cnc3ccc(-c4ccsc4)cc3c2n1-c1ccc(N2CCNCC2)c(C(F)(F)F)c1
• InChI: InChI=1S/C38H35F3N6O2.C36H30F3N5O2.C34H28F3N5O3.C27H21F3N4O2.C27H21F3N4OS/c1-45(2)18-15-42-37(49)24-13-16-46(17-14-24)34-11-9-29(21-31(34)38(39,40)41)47-35(48)12-8-27-22-44-33-10-7-25(20-30(33)36(27)47)28-19-26-5-3-4-6-32(26)43-23-28;1-3-33(45)43-14-12-42(13-15-43)32-11-9-27(19-29(32)36(37,38)39)44-34-26(16-22(2)35(44)46)21-41-31-10-8-23(18-28(31)34)25-17-24-6-4-5-7-30(24)40-20-25;1-2-31(44)41-13-11-40(12-14-41)30-9-5-23(18-26(30)34(35,36)37)42-32(45)10-4-21-19-38-28-7-3-20(16-25(28)33(21)42)29-17-22-15-24(43)6-8-27(22)39-29;2*28-27(29,30)22-14-20(3-5-24(22)33-10-8-31-9-11-33)34-25(35)6-2-18-15-32-23-4-1-17(13-21(23)26(18)34)19-7-12-36-16-19/h3-12,19-24H,13-18H2,1-2H3,(H,42,49);4-11,16-21H,3,12-15H2,1-2H3;3-10,15-19,39,43H,2,11-14H2,1H3;2*1-7,12-16,31H,8-11H2
• InChIKey: GLFGQLAKLAUGLA-UHFFFAOYSA-N
• XLogP: 31.20
• TPSA: 362.61 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 31
• Rotatable Bonds: 21
• Heavy Atoms: 212
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2895.06
LogP ≤ 5	31.20
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	31

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 N-[2-(dimethylamino)ethyl]-1-[4-(2-oxo-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-1-yl)-2-(trifluoromethyl)phenyl]piperidine-4-carboxamide;9-(furan-3-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;9-(5-hydroxy-1H-indol-2-yl)-1-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;3-methyl-1-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-9-thiophen-3-ylbenzo[h][1,6]naphthyridin-2-one?

The IUPAC name of N-[2-(dimethylamino)ethyl]-1-[4-(2-oxo-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-1-yl)-2-(trifluoromethyl)phenyl]piperidine-4-carboxamide;9-(furan-3-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;9-(5-hydroxy-1H-indol-2-yl)-1-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;3-methyl-1-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-9-thiophen-3-ylbenzo[h][1,6]naphthyridin-2-one (CID 158289771) is N-[2-(dimethylamino)ethyl]-1-[4-(2-oxo-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-1-yl)-2-(trifluoromethyl)phenyl]piperidine-4-carboxamide;9-(furan-3-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;9-(5-hydroxy-1H-indol-2-yl)-1-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;3-methyl-1-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-9-thiophen-3-ylbenzo[h][1,6]naphthyridin-2-one.

What is the SMILES notation for N-[2-(dimethylamino)ethyl]-1-[4-(2-oxo-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-1-yl)-2-(trifluoromethyl)phenyl]piperidine-4-carboxamide;9-(furan-3-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;9-(5-hydroxy-1H-indol-2-yl)-1-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;3-methyl-1-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-9-thiophen-3-ylbenzo[h][1,6]naphthyridin-2-one?

The canonical SMILES for N-[2-(dimethylamino)ethyl]-1-[4-(2-oxo-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-1-yl)-2-(trifluoromethyl)phenyl]piperidine-4-carboxamide;9-(furan-3-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;9-(5-hydroxy-1H-indol-2-yl)-1-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;3-methyl-1-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-9-thiophen-3-ylbenzo[h][1,6]naphthyridin-2-one is CCC(=O)N1CCN(c2ccc(-n3c(=O)c(C)cc4cnc5ccc(-c6cnc7ccccc7c6)cc5c43)cc2C(F)(F)F)CC1.CCC(=O)N1CCN(c2ccc(-n3c(=O)ccc4cnc5ccc(-c6cc7cc(O)ccc7[nH]6)cc5c43)cc2C(F)(F)F)CC1.CN(C)CCNC(=O)C1CCN(c2ccc(-n3c(=O)ccc4cnc5ccc(-c6cnc7ccccc7c6)cc5c43)cc2C(F)(F)F)CC1.O=c1ccc2cnc3ccc(-c4ccoc4)cc3c2n1-c1ccc(N2CCNCC2)c(C(F)(F)F)c1.O=c1ccc2cnc3ccc(-c4ccsc4)cc3c2n1-c1ccc(N2CCNCC2)c(C(F)(F)F)c1.

What is the InChIKey of N-[2-(dimethylamino)ethyl]-1-[4-(2-oxo-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-1-yl)-2-(trifluoromethyl)phenyl]piperidine-4-carboxamide;9-(furan-3-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;9-(5-hydroxy-1H-indol-2-yl)-1-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;3-methyl-1-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-9-thiophen-3-ylbenzo[h][1,6]naphthyridin-2-one?

The InChIKey is GLFGQLAKLAUGLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H35F3N6O2.C36H30F3N5O2.C34H28F3N5O3.C27H21F3N4O2.C27H21F3N4OS/c1-45(2)18-15-42-37(49)24-13-16-46(17-14-24)34-11-9-29(21-31(34)38(39,40)41)47-35(48)12-8-27-22-44-33-10-7-25(20-30(33)36(27)47)28-19-26-5-3-4-6-32(26)43-23-28;1-3-33(45)43-14-12-42(13-15-43)32-11-9-27(19-29(32)36(37,38)39)44-34-26(16-22(2)35(44)46)21-41-31-10-8-23(18-28(31)34)25-17-24-6-4-5-7-30(24)40-20-25;1-2-31(44)41-13-11-40(12-14-41)30-9-5-23(18-26(30)34(35,36)37)42-32(45)10-4-21-19-38-28-7-3-20(16-25(28)33(21)42)29-17-22-15-24(43)6-8-27(22)39-29;2*28-27(29,30)22-14-20(3-5-24(22)33-10-8-31-9-11-33)34-25(35)6-2-18-15-32-23-4-1-17(13-21(23)26(18)34)19-7-12-36-16-19/h3-12,19-24H,13-18H2,1-2H3,(H,42,49);4-11,16-21H,3,12-15H2,1-2H3;3-10,15-19,39,43H,2,11-14H2,1H3;2*1-7,12-16,31H,8-11H2.

What are the key properties of N-[2-(dimethylamino)ethyl]-1-[4-(2-oxo-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-1-yl)-2-(trifluoromethyl)phenyl]piperidine-4-carboxamide;9-(furan-3-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;9-(5-hydroxy-1H-indol-2-yl)-1-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;3-methyl-1-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-9-thiophen-3-ylbenzo[h][1,6]naphthyridin-2-one?

N-[2-(dimethylamino)ethyl]-1-[4-(2-oxo-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-1-yl)-2-(trifluoromethyl)phenyl]piperidine-4-carboxamide;9-(furan-3-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;9-(5-hydroxy-1H-indol-2-yl)-1-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;3-methyl-1-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-9-thiophen-3-ylbenzo[h][1,6]naphthyridin-2-one has a molecular weight of 2895.06 g/mol, XLogP of 31.20, 21 rotatable bonds, 5 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(dimethylamino)ethyl]-1-[4-(2-oxo-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-1-yl)-2-(trifluoromethyl)phenyl]piperidine-4-carboxamide;9-(furan-3-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;9-(5-hydroxy-1H-indol-2-yl)-1-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;3-methyl-1-[4-(4-propanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-9-thiophen-3-ylbenzo[h][1,6]naphthyridin-2-one is sourced from PubChem (CID 158289771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).