2-chloro-6,7-dihydro-5H-quinolin-8-one;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole;2-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-6,7-dihydro-5H-quinolin-8-one

C50H42BClF6N8O4 — CID 160644098

About 2-chloro-6,7-dihydro-5H-quinolin-8-one;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole;2-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-6,7-dihydro-5H-quinolin-8-one

2-chloro-6,7-dihydro-5H-quinolin-8-one;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole;2-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-6,7-dihydro-5H-quinolin-8-one (PubChem CID 160644098) has the molecular formula C50H42BClF6N8O4 and a molecular weight of 979.19 g/mol. Its IUPAC name is 2-chloro-6,7-dihydro-5H-quinolin-8-one;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole;2-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-6,7-dihydro-5H-quinolin-8-one.

Molecular Properties

• Compound Name: 2-chloro-6,7-dihydro-5H-quinolin-8-one;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole;2-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-6,7-dihydro-5H-quinolin-8-one
• PubChem CID: 160644098
• Molecular Formula: C50H42BClF6N8O4
• Molecular Weight: 979.19 g/mol
• Exact Mass: 978.30
• IUPAC Name: 2-chloro-6,7-dihydro-5H-quinolin-8-one;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole;2-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-6,7-dihydro-5H-quinolin-8-one
• SMILES: CC1(C)OB(c2ccc3cnn(-c4cccc(C(F)(F)F)n4)c3c2)OC1(C)C.O=C1CCCc2ccc(-c3ccc4cnn(-c5cccc(C(F)(F)F)n5)c4c3)nc21.O=C1CCCc2ccc(Cl)nc21
• InChI: InChI=1S/C22H15F3N4O.C19H19BF3N3O2.C9H8ClNO/c23-22(24,25)19-5-2-6-20(28-19)29-17-11-14(7-8-15(17)12-26-29)16-10-9-13-3-1-4-18(30)21(13)27-16;1-17(2)18(3,4)28-20(27-17)13-9-8-12-11-24-26(14(12)10-13)16-7-5-6-15(25-16)19(21,22)23;10-8-5-4-6-2-1-3-7(12)9(6)11-8/h2,5-12H,1,3-4H2;5-11H,1-4H3;4-5H,1-3H2
• InChIKey: RJOBQFPNQSUONO-UHFFFAOYSA-N
• XLogP: 11.01
• TPSA: 139.80 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 4
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	979.19
LogP ≤ 5	11.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6,7-dihydro-5H-quinolin-8-one;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole;2-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-6,7-dihydro-5H-quinolin-8-one?

The IUPAC name of 2-chloro-6,7-dihydro-5H-quinolin-8-one;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole;2-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-6,7-dihydro-5H-quinolin-8-one (CID 160644098) is 2-chloro-6,7-dihydro-5H-quinolin-8-one;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole;2-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-6,7-dihydro-5H-quinolin-8-one.

What is the SMILES notation for 2-chloro-6,7-dihydro-5H-quinolin-8-one;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole;2-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-6,7-dihydro-5H-quinolin-8-one?

The canonical SMILES for 2-chloro-6,7-dihydro-5H-quinolin-8-one;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole;2-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-6,7-dihydro-5H-quinolin-8-one is CC1(C)OB(c2ccc3cnn(-c4cccc(C(F)(F)F)n4)c3c2)OC1(C)C.O=C1CCCc2ccc(-c3ccc4cnn(-c5cccc(C(F)(F)F)n5)c4c3)nc21.O=C1CCCc2ccc(Cl)nc21.

What is the InChIKey of 2-chloro-6,7-dihydro-5H-quinolin-8-one;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole;2-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-6,7-dihydro-5H-quinolin-8-one?

The InChIKey is RJOBQFPNQSUONO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F3N4O.C19H19BF3N3O2.C9H8ClNO/c23-22(24,25)19-5-2-6-20(28-19)29-17-11-14(7-8-15(17)12-26-29)16-10-9-13-3-1-4-18(30)21(13)27-16;1-17(2)18(3,4)28-20(27-17)13-9-8-12-11-24-26(14(12)10-13)16-7-5-6-15(25-16)19(21,22)23;10-8-5-4-6-2-1-3-7(12)9(6)11-8/h2,5-12H,1,3-4H2;5-11H,1-4H3;4-5H,1-3H2.

What are the key properties of 2-chloro-6,7-dihydro-5H-quinolin-8-one;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole;2-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-6,7-dihydro-5H-quinolin-8-one?

2-chloro-6,7-dihydro-5H-quinolin-8-one;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole;2-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-6,7-dihydro-5H-quinolin-8-one has a molecular weight of 979.19 g/mol, XLogP of 11.01, 4 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-6,7-dihydro-5H-quinolin-8-one;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole;2-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-6,7-dihydro-5H-quinolin-8-one is sourced from PubChem (CID 160644098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).