1-[4-(4-acetylphenyl)-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;4-[4-(2-oxo-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-1-yl)-2-(trifluoromethyl)phenyl]benzamide;1-[4-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;9-quinolin-3-yl-1-[4-(1,2,3,6-tetrahydropyridin-4-yl)-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one

C144H97F12N15O7 — CID 160571960

About 1-[4-(4-acetylphenyl)-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;4-[4-(2-oxo-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-1-yl)-2-(trifluoromethyl)phenyl]benzamide;1-[4-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;9-quinolin-3-yl-1-[4-(1,2,3,6-tetrahydropyridin-4-yl)-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one

1-[4-(4-acetylphenyl)-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;4-[4-(2-oxo-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-1-yl)-2-(trifluoromethyl)phenyl]benzamide;1-[4-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;9-quinolin-3-yl-1-[4-(1,2,3,6-tetrahydropyridin-4-yl)-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one (PubChem CID 160571960) has the molecular formula C144H97F12N15O7 and a molecular weight of 2377.43 g/mol. Its IUPAC name is 1-[4-(4-acetylphenyl)-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;4-[4-(2-oxo-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-1-yl)-2-(trifluoromethyl)phenyl]benzamide;1-[4-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;9-quinolin-3-yl-1-[4-(1,2,3,6-tetrahydropyridin-4-yl)-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one.

Molecular Properties

• Compound Name: 1-[4-(4-acetylphenyl)-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;4-[4-(2-oxo-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-1-yl)-2-(trifluoromethyl)phenyl]benzamide;1-[4-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;9-quinolin-3-yl-1-[4-(1,2,3,6-tetrahydropyridin-4-yl)-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one
• PubChem CID: 160571960
• Molecular Formula: C144H97F12N15O7
• Molecular Weight: 2377.43 g/mol
• Exact Mass: 2375.75
• IUPAC Name: 1-[4-(4-acetylphenyl)-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;4-[4-(2-oxo-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-1-yl)-2-(trifluoromethyl)phenyl]benzamide;1-[4-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;9-quinolin-3-yl-1-[4-(1,2,3,6-tetrahydropyridin-4-yl)-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one
• SMILES: CC(=O)c1ccc(-c2ccc(-n3c(=O)ccc4cnc5ccc(-c6cnc7ccccc7c6)cc5c43)cc2C(F)(F)F)cc1.NC(=O)c1ccc(-c2ccc(-n3c(=O)ccc4cnc5ccc(-c6cnc7ccccc7c6)cc5c43)cc2C(F)(F)F)cc1.O=c1ccc2cnc3ccc(-c4cnc5ccccc5c4)cc3c2n1-c1ccc(-c2ccc(OCCN3CCCC3)cc2)c(C(F)(F)F)c1.O=c1ccc2cnc3ccc(-c4cnc5ccccc5c4)cc3c2n1-c1ccc(C2=CCNCC2)c(C(F)(F)F)c1
• InChI: InChI=1S/C40H31F3N4O2.C36H22F3N3O2.C35H21F3N4O2.C33H23F3N4O/c41-40(42,43)35-23-31(11-14-33(35)26-7-12-32(13-8-26)49-20-19-46-17-3-4-18-46)47-38(48)16-10-29-24-45-37-15-9-27(22-34(37)39(29)47)30-21-28-5-1-2-6-36(28)44-25-30;1-21(43)22-6-8-23(9-7-22)29-13-12-28(18-31(29)36(37,38)39)42-34(44)15-11-26-19-41-33-14-10-24(17-30(33)35(26)42)27-16-25-4-2-3-5-32(25)40-20-27;36-35(37,38)29-17-26(11-12-27(29)20-5-7-21(8-6-20)34(39)44)42-32(43)14-10-24-18-41-31-13-9-22(16-28(31)33(24)42)25-15-23-3-1-2-4-30(23)40-19-25;34-33(35,36)28-17-25(7-8-26(28)20-11-13-37-14-12-20)40-31(41)10-6-23-18-39-30-9-5-21(16-27(30)32(23)40)24-15-22-3-1-2-4-29(22)38-19-24/h1-2,5-16,21-25H,3-4,17-20H2;2-20H,1H3;1-19H,(H2,39,44);1-11,15-19,37H,12-14H2
• InChIKey: RAQXSDCWYZXQNJ-UHFFFAOYSA-N
• XLogP: 32.25
• TPSA: 275.78 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 21
• Rotatable Bonds: 18
• Heavy Atoms: 178
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2377.43
LogP ≤ 5	32.25
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-acetylphenyl)-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;4-[4-(2-oxo-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-1-yl)-2-(trifluoromethyl)phenyl]benzamide;1-[4-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;9-quinolin-3-yl-1-[4-(1,2,3,6-tetrahydropyridin-4-yl)-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one?

The IUPAC name of 1-[4-(4-acetylphenyl)-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;4-[4-(2-oxo-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-1-yl)-2-(trifluoromethyl)phenyl]benzamide;1-[4-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;9-quinolin-3-yl-1-[4-(1,2,3,6-tetrahydropyridin-4-yl)-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one (CID 160571960) is 1-[4-(4-acetylphenyl)-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;4-[4-(2-oxo-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-1-yl)-2-(trifluoromethyl)phenyl]benzamide;1-[4-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;9-quinolin-3-yl-1-[4-(1,2,3,6-tetrahydropyridin-4-yl)-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one.

What is the SMILES notation for 1-[4-(4-acetylphenyl)-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;4-[4-(2-oxo-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-1-yl)-2-(trifluoromethyl)phenyl]benzamide;1-[4-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;9-quinolin-3-yl-1-[4-(1,2,3,6-tetrahydropyridin-4-yl)-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one?

The canonical SMILES for 1-[4-(4-acetylphenyl)-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;4-[4-(2-oxo-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-1-yl)-2-(trifluoromethyl)phenyl]benzamide;1-[4-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;9-quinolin-3-yl-1-[4-(1,2,3,6-tetrahydropyridin-4-yl)-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one is CC(=O)c1ccc(-c2ccc(-n3c(=O)ccc4cnc5ccc(-c6cnc7ccccc7c6)cc5c43)cc2C(F)(F)F)cc1.NC(=O)c1ccc(-c2ccc(-n3c(=O)ccc4cnc5ccc(-c6cnc7ccccc7c6)cc5c43)cc2C(F)(F)F)cc1.O=c1ccc2cnc3ccc(-c4cnc5ccccc5c4)cc3c2n1-c1ccc(-c2ccc(OCCN3CCCC3)cc2)c(C(F)(F)F)c1.O=c1ccc2cnc3ccc(-c4cnc5ccccc5c4)cc3c2n1-c1ccc(C2=CCNCC2)c(C(F)(F)F)c1.

What is the InChIKey of 1-[4-(4-acetylphenyl)-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;4-[4-(2-oxo-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-1-yl)-2-(trifluoromethyl)phenyl]benzamide;1-[4-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;9-quinolin-3-yl-1-[4-(1,2,3,6-tetrahydropyridin-4-yl)-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one?

The InChIKey is RAQXSDCWYZXQNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H31F3N4O2.C36H22F3N3O2.C35H21F3N4O2.C33H23F3N4O/c41-40(42,43)35-23-31(11-14-33(35)26-7-12-32(13-8-26)49-20-19-46-17-3-4-18-46)47-38(48)16-10-29-24-45-37-15-9-27(22-34(37)39(29)47)30-21-28-5-1-2-6-36(28)44-25-30;1-21(43)22-6-8-23(9-7-22)29-13-12-28(18-31(29)36(37,38)39)42-34(44)15-11-26-19-41-33-14-10-24(17-30(33)35(26)42)27-16-25-4-2-3-5-32(25)40-20-27;36-35(37,38)29-17-26(11-12-27(29)20-5-7-21(8-6-20)34(39)44)42-32(43)14-10-24-18-41-31-13-9-22(16-28(31)33(24)42)25-15-23-3-1-2-4-30(23)40-19-25;34-33(35,36)28-17-25(7-8-26(28)20-11-13-37-14-12-20)40-31(41)10-6-23-18-39-30-9-5-21(16-27(30)32(23)40)24-15-22-3-1-2-4-29(22)38-19-24/h1-2,5-16,21-25H,3-4,17-20H2;2-20H,1H3;1-19H,(H2,39,44);1-11,15-19,37H,12-14H2.

What are the key properties of 1-[4-(4-acetylphenyl)-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;4-[4-(2-oxo-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-1-yl)-2-(trifluoromethyl)phenyl]benzamide;1-[4-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;9-quinolin-3-yl-1-[4-(1,2,3,6-tetrahydropyridin-4-yl)-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one?

1-[4-(4-acetylphenyl)-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;4-[4-(2-oxo-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-1-yl)-2-(trifluoromethyl)phenyl]benzamide;1-[4-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;9-quinolin-3-yl-1-[4-(1,2,3,6-tetrahydropyridin-4-yl)-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one has a molecular weight of 2377.43 g/mol, XLogP of 32.25, 18 rotatable bonds, 2 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(4-acetylphenyl)-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;4-[4-(2-oxo-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-1-yl)-2-(trifluoromethyl)phenyl]benzamide;1-[4-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;9-quinolin-3-yl-1-[4-(1,2,3,6-tetrahydropyridin-4-yl)-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one is sourced from PubChem (CID 160571960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).