2-chloro-6,7-dihydro-5H-quinolin-8-one;2-(1-pyridin-3-ylpyrazol-4-yl)-6,7-dihydro-5H-quinolin-8-one;3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]pyridine

C40H40BClN8O4 — CID 161165284

About 2-chloro-6,7-dihydro-5H-quinolin-8-one;2-(1-pyridin-3-ylpyrazol-4-yl)-6,7-dihydro-5H-quinolin-8-one;3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]pyridine

2-chloro-6,7-dihydro-5H-quinolin-8-one;2-(1-pyridin-3-ylpyrazol-4-yl)-6,7-dihydro-5H-quinolin-8-one;3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]pyridine (PubChem CID 161165284) has the molecular formula C40H40BClN8O4 and a molecular weight of 743.08 g/mol. Its IUPAC name is 2-chloro-6,7-dihydro-5H-quinolin-8-one;2-(1-pyridin-3-ylpyrazol-4-yl)-6,7-dihydro-5H-quinolin-8-one;3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]pyridine.

Molecular Properties

• Compound Name: 2-chloro-6,7-dihydro-5H-quinolin-8-one;2-(1-pyridin-3-ylpyrazol-4-yl)-6,7-dihydro-5H-quinolin-8-one;3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]pyridine
• PubChem CID: 161165284
• Molecular Formula: C40H40BClN8O4
• Molecular Weight: 743.08 g/mol
• Exact Mass: 742.30
• IUPAC Name: 2-chloro-6,7-dihydro-5H-quinolin-8-one;2-(1-pyridin-3-ylpyrazol-4-yl)-6,7-dihydro-5H-quinolin-8-one;3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]pyridine
• SMILES: CC1(C)OB(c2cnn(-c3cccnc3)c2)OC1(C)C.O=C1CCCc2ccc(-c3cnn(-c4cccnc4)c3)nc21.O=C1CCCc2ccc(Cl)nc21
• InChI: InChI=1S/C17H14N4O.C14H18BN3O2.C9H8ClNO/c22-16-5-1-3-12-6-7-15(20-17(12)16)13-9-19-21(11-13)14-4-2-8-18-10-14;1-13(2)14(3,4)20-15(19-13)11-8-17-18(10-11)12-6-5-7-16-9-12;10-8-5-4-6-2-1-3-7(12)9(6)11-8/h2,4,6-11H,1,3,5H2;5-10H,1-4H3;4-5H,1-3H2
• InChIKey: UQLGYIHZCQIRKC-UHFFFAOYSA-N
• XLogP: 6.67
• TPSA: 139.80 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 4
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	743.08
LogP ≤ 5	6.67
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;2-(1-pyridin-3-ylpyrazol-4-yl)-6,7-dihydro-5H-quinolin-8-one;3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]pyridine?

The IUPAC name of 2-chloro-6,7-dihydro-5H-quinolin-8-one;2-(1-pyridin-3-ylpyrazol-4-yl)-6,7-dihydro-5H-quinolin-8-one;3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]pyridine (CID 161165284) is 2-chloro-6,7-dihydro-5H-quinolin-8-one;2-(1-pyridin-3-ylpyrazol-4-yl)-6,7-dihydro-5H-quinolin-8-one;3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]pyridine.

What is the SMILES notation for 2-chloro-6,7-dihydro-5H-quinolin-8-one;2-(1-pyridin-3-ylpyrazol-4-yl)-6,7-dihydro-5H-quinolin-8-one;3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]pyridine?

The canonical SMILES for 2-chloro-6,7-dihydro-5H-quinolin-8-one;2-(1-pyridin-3-ylpyrazol-4-yl)-6,7-dihydro-5H-quinolin-8-one;3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]pyridine is CC1(C)OB(c2cnn(-c3cccnc3)c2)OC1(C)C.O=C1CCCc2ccc(-c3cnn(-c4cccnc4)c3)nc21.O=C1CCCc2ccc(Cl)nc21.

What is the InChIKey of 2-chloro-6,7-dihydro-5H-quinolin-8-one;2-(1-pyridin-3-ylpyrazol-4-yl)-6,7-dihydro-5H-quinolin-8-one;3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]pyridine?

The InChIKey is UQLGYIHZCQIRKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O.C14H18BN3O2.C9H8ClNO/c22-16-5-1-3-12-6-7-15(20-17(12)16)13-9-19-21(11-13)14-4-2-8-18-10-14;1-13(2)14(3,4)20-15(19-13)11-8-17-18(10-11)12-6-5-7-16-9-12;10-8-5-4-6-2-1-3-7(12)9(6)11-8/h2,4,6-11H,1,3,5H2;5-10H,1-4H3;4-5H,1-3H2.

What are the key properties of 2-chloro-6,7-dihydro-5H-quinolin-8-one;2-(1-pyridin-3-ylpyrazol-4-yl)-6,7-dihydro-5H-quinolin-8-one;3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]pyridine?

2-chloro-6,7-dihydro-5H-quinolin-8-one;2-(1-pyridin-3-ylpyrazol-4-yl)-6,7-dihydro-5H-quinolin-8-one;3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]pyridine has a molecular weight of 743.08 g/mol, XLogP of 6.67, 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;2-(1-pyridin-3-ylpyrazol-4-yl)-6,7-dihydro-5H-quinolin-8-one;3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]pyridine is sourced from PubChem (CID 161165284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).