1-[4-(4-acetylphenyl)-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;9-(6-methyl-3-pyridinyl)-1-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;1-[4-morpholin-4-yl-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

C172H120F15N19O10 — CID 161250905

About 1-[4-(4-acetylphenyl)-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;9-(6-methyl-3-pyridinyl)-1-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;1-[4-morpholin-4-yl-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

1-[4-(4-acetylphenyl)-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;9-(6-methyl-3-pyridinyl)-1-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;1-[4-morpholin-4-yl-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 (PubChem CID 161250905) has the molecular formula C172H120F15N19O10 and a molecular weight of 2897.94 g/mol. Its IUPAC name is 1-[4-(4-acetylphenyl)-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;9-(6-methyl-3-pyridinyl)-1-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;1-[4-morpholin-4-yl-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.

Molecular Properties

• Compound Name: 1-[4-(4-acetylphenyl)-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;9-(6-methyl-3-pyridinyl)-1-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;1-[4-morpholin-4-yl-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
• PubChem CID: 161250905
• Molecular Formula: C172H120F15N19O10
• Molecular Weight: 2897.94 g/mol
• Exact Mass: 2895.92
• IUPAC Name: 1-[4-(4-acetylphenyl)-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;9-(6-methyl-3-pyridinyl)-1-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;1-[4-morpholin-4-yl-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
• SMILES: CC(=O)c1ccc(-c2ccc(-n3c(=O)ccc4cnc5ccc(-c6cnc7ccccc7c6)cc5c43)cc2C(F)(F)F)cc1.Cc1ccc(-c2ccc3ncc4ccc(=O)n(-c5ccc(N6CCOCC6)c(C(F)(F)F)c5)c4c3c2)cn1.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(N2CCOCC2)c(C(F)(F)F)c1
• InChI: InChI=1S/C40H31F3N4O2.C36H22F3N3O2.C35H21F3N4O2.C32H23F3N4O2.C29H23F3N4O2/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;33-32(34,35)26-17-24(7-9-29(26)38-11-13-41-14-12-38)39-30(40)10-6-22-18-37-28-8-5-20(16-25(28)31(22)39)23-15-21-3-1-2-4-27(21)36-19-23;1-18-2-3-20(16-33-18)19-4-7-25-23(14-19)28-21(17-34-25)5-9-27(37)36(28)22-6-8-26(24(15-22)29(30,31)32)35-10-12-38-13-11-35/h1-2,5-16,21-25H,3-4,17-20H2;2-20H,1H3;1-19H,(H2,39,44);1-10,15-19H,11-14H2;2-9,14-17H,10-13H2,1H3
• InChIKey: VBGHNSRTZKMVDU-UHFFFAOYSA-N
• XLogP: 37.47
• TPSA: 336.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 28
• Rotatable Bonds: 21
• Heavy Atoms: 216
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2897.94
LogP ≤ 5	37.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	28

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-(4-acetylphenyl)-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;9-(6-methyl-3-pyridinyl)-1-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;1-[4-morpholin-4-yl-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?

The IUPAC name of 1-[4-(4-acetylphenyl)-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;9-(6-methyl-3-pyridinyl)-1-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;1-[4-morpholin-4-yl-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 (CID 161250905) is 1-[4-(4-acetylphenyl)-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;9-(6-methyl-3-pyridinyl)-1-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;1-[4-morpholin-4-yl-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.

What is the SMILES notation for 1-[4-(4-acetylphenyl)-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;9-(6-methyl-3-pyridinyl)-1-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;1-[4-morpholin-4-yl-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?

The canonical SMILES for 1-[4-(4-acetylphenyl)-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;9-(6-methyl-3-pyridinyl)-1-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;1-[4-morpholin-4-yl-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 is CC(=O)c1ccc(-c2ccc(-n3c(=O)ccc4cnc5ccc(-c6cnc7ccccc7c6)cc5c43)cc2C(F)(F)F)cc1.Cc1ccc(-c2ccc3ncc4ccc(=O)n(-c5ccc(N6CCOCC6)c(C(F)(F)F)c5)c4c3c2)cn1.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(N2CCOCC2)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;9-(6-methyl-3-pyridinyl)-1-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;1-[4-morpholin-4-yl-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?

The InChIKey is VBGHNSRTZKMVDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H31F3N4O2.C36H22F3N3O2.C35H21F3N4O2.C32H23F3N4O2.C29H23F3N4O2/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;33-32(34,35)26-17-24(7-9-29(26)38-11-13-41-14-12-38)39-30(40)10-6-22-18-37-28-8-5-20(16-25(28)31(22)39)23-15-21-3-1-2-4-27(21)36-19-23;1-18-2-3-20(16-33-18)19-4-7-25-23(14-19)28-21(17-34-25)5-9-27(37)36(28)22-6-8-26(24(15-22)29(30,31)32)35-10-12-38-13-11-35/h1-2,5-16,21-25H,3-4,17-20H2;2-20H,1H3;1-19H,(H2,39,44);1-10,15-19H,11-14H2;2-9,14-17H,10-13H2,1H3.

What are the key properties of 1-[4-(4-acetylphenyl)-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;9-(6-methyl-3-pyridinyl)-1-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;1-[4-morpholin-4-yl-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?

1-[4-(4-acetylphenyl)-3-(trifluoromethyl)phenyl]-9-quinolin-3-ylbenzo[h][1,6]naphthyridin-2-one;9-(6-methyl-3-pyridinyl)-1-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;1-[4-morpholin-4-yl-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 has a molecular weight of 2897.94 g/mol, XLogP of 37.47, 21 rotatable bonds, 1 hydrogen bond donors, and 28 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;9-(6-methyl-3-pyridinyl)-1-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one;1-[4-morpholin-4-yl-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 is sourced from PubChem (CID 161250905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).