tert-butyl 4-(5-fluoroquinolin-8-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(5-fluoro-1,2,3,4-tetrahydroquinolin-8-yl)piperidine-1-carboxylate;carbanide;palladium

C39H51F2N4O4Pd- — CID 158584160

About tert-butyl 4-(5-fluoroquinolin-8-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(5-fluoro-1,2,3,4-tetrahydroquinolin-8-yl)piperidine-1-carboxylate;carbanide;palladium

tert-butyl 4-(5-fluoroquinolin-8-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(5-fluoro-1,2,3,4-tetrahydroquinolin-8-yl)piperidine-1-carboxylate;carbanide;palladium (PubChem CID 158584160) has the molecular formula C39H51F2N4O4Pd- and a molecular weight of 784.28 g/mol. Its IUPAC name is tert-butyl 4-(5-fluoroquinolin-8-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(5-fluoro-1,2,3,4-tetrahydroquinolin-8-yl)piperidine-1-carboxylate;carbanide;palladium.

Molecular Properties

• Compound Name: tert-butyl 4-(5-fluoroquinolin-8-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(5-fluoro-1,2,3,4-tetrahydroquinolin-8-yl)piperidine-1-carboxylate;carbanide;palladium
• PubChem CID: 158584160
• Molecular Formula: C39H51F2N4O4Pd-
• Molecular Weight: 784.28 g/mol
• Exact Mass: 783.29
• IUPAC Name: tert-butyl 4-(5-fluoroquinolin-8-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(5-fluoro-1,2,3,4-tetrahydroquinolin-8-yl)piperidine-1-carboxylate;carbanide;palladium
• SMILES: CC(C)(C)OC(=O)N1CC=C(c2ccc(F)c3cccnc23)CC1.CC(C)(C)OC(=O)N1CCC(c2ccc(F)c3c2NCCC3)CC1.[CH3-].[Pd]
• InChI: InChI=1S/C19H27FN2O2.C19H21FN2O2.CH3.Pd/c2*1-19(2,3)24-18(23)22-11-8-13(9-12-22)14-6-7-16(20)15-5-4-10-21-17(14)15;;/h6-7,13,21H,4-5,8-12H2,1-3H3;4-8,10H,9,11-12H2,1-3H3;1H3;/q;;-1
• InChIKey: UFZLGEKROKYEOH-UHFFFAOYSA-N
• XLogP: 9.14
• TPSA: 84.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	784.28
LogP ≤ 5	9.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(5-fluoroquinolin-8-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(5-fluoro-1,2,3,4-tetrahydroquinolin-8-yl)piperidine-1-carboxylate;carbanide;palladium?

The IUPAC name of tert-butyl 4-(5-fluoroquinolin-8-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(5-fluoro-1,2,3,4-tetrahydroquinolin-8-yl)piperidine-1-carboxylate;carbanide;palladium (CID 158584160) is tert-butyl 4-(5-fluoroquinolin-8-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(5-fluoro-1,2,3,4-tetrahydroquinolin-8-yl)piperidine-1-carboxylate;carbanide;palladium.

What is the SMILES notation for tert-butyl 4-(5-fluoroquinolin-8-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(5-fluoro-1,2,3,4-tetrahydroquinolin-8-yl)piperidine-1-carboxylate;carbanide;palladium?

The canonical SMILES for tert-butyl 4-(5-fluoroquinolin-8-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(5-fluoro-1,2,3,4-tetrahydroquinolin-8-yl)piperidine-1-carboxylate;carbanide;palladium is CC(C)(C)OC(=O)N1CC=C(c2ccc(F)c3cccnc23)CC1.CC(C)(C)OC(=O)N1CCC(c2ccc(F)c3c2NCCC3)CC1.[CH3-].[Pd].

What is the InChIKey of tert-butyl 4-(5-fluoroquinolin-8-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(5-fluoro-1,2,3,4-tetrahydroquinolin-8-yl)piperidine-1-carboxylate;carbanide;palladium?

The InChIKey is UFZLGEKROKYEOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN2O2.C19H21FN2O2.CH3.Pd/c2*1-19(2,3)24-18(23)22-11-8-13(9-12-22)14-6-7-16(20)15-5-4-10-21-17(14)15;;/h6-7,13,21H,4-5,8-12H2,1-3H3;4-8,10H,9,11-12H2,1-3H3;1H3;/q;;-1;.

What are the key properties of tert-butyl 4-(5-fluoroquinolin-8-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(5-fluoro-1,2,3,4-tetrahydroquinolin-8-yl)piperidine-1-carboxylate;carbanide;palladium?

tert-butyl 4-(5-fluoroquinolin-8-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(5-fluoro-1,2,3,4-tetrahydroquinolin-8-yl)piperidine-1-carboxylate;carbanide;palladium has a molecular weight of 784.28 g/mol, XLogP of 9.14, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-(5-fluoroquinolin-8-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(5-fluoro-1,2,3,4-tetrahydroquinolin-8-yl)piperidine-1-carboxylate;carbanide;palladium is sourced from PubChem (CID 158584160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).