cesium;carbanide;5-chloro-2-methoxy-N-[4-[[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]benzamide

C25H26ClCsF3N3O2 — CID 163267053

About cesium;carbanide;5-chloro-2-methoxy-N-[4-[[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]benzamide

cesium;carbanide;5-chloro-2-methoxy-N-[4-[[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]benzamide (PubChem CID 163267053) has the molecular formula C25H26ClCsF3N3O2 and a molecular weight of 625.85 g/mol. Its IUPAC name is cesium;carbanide;5-chloro-2-methoxy-N-[4-[[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]benzamide.

Molecular Properties

• Compound Name: cesium;carbanide;5-chloro-2-methoxy-N-[4-[[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]benzamide
• PubChem CID: 163267053
• Molecular Formula: C25H26ClCsF3N3O2
• Molecular Weight: 625.85 g/mol
• Exact Mass: 625.07
• IUPAC Name: cesium;carbanide;5-chloro-2-methoxy-N-[4-[[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]benzamide
• SMILES: COc1ccc(Cl)cc1C(=O)NC1CCC(Nc2cc(C(F)(F)F)nc3ccccc23)CC1.[CH3-].[Cs+]
• InChI: InChI=1S/C24H23ClF3N3O2.CH3.Cs/c1-33-21-11-6-14(25)12-18(21)23(32)30-16-9-7-15(8-10-16)29-20-13-22(24(26,27)28)31-19-5-3-2-4-17(19)20;;/h2-6,11-13,15-16H,7-10H2,1H3,(H,29,31)(H,30,32);1H3;/q;-1;+1
• InChIKey: HIOKINNXVLIVND-UHFFFAOYSA-N
• XLogP: 3.52
• TPSA: 63.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	625.85
LogP ≤ 5	3.52
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of cesium;carbanide;5-chloro-2-methoxy-N-[4-[[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]benzamide?

The IUPAC name of cesium;carbanide;5-chloro-2-methoxy-N-[4-[[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]benzamide (CID 163267053) is cesium;carbanide;5-chloro-2-methoxy-N-[4-[[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]benzamide.

What is the SMILES notation for cesium;carbanide;5-chloro-2-methoxy-N-[4-[[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]benzamide?

The canonical SMILES for cesium;carbanide;5-chloro-2-methoxy-N-[4-[[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]benzamide is COc1ccc(Cl)cc1C(=O)NC1CCC(Nc2cc(C(F)(F)F)nc3ccccc23)CC1.[CH3-].[Cs+].

What is the InChIKey of cesium;carbanide;5-chloro-2-methoxy-N-[4-[[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]benzamide?

The InChIKey is HIOKINNXVLIVND-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClF3N3O2.CH3.Cs/c1-33-21-11-6-14(25)12-18(21)23(32)30-16-9-7-15(8-10-16)29-20-13-22(24(26,27)28)31-19-5-3-2-4-17(19)20;;/h2-6,11-13,15-16H,7-10H2,1H3,(H,29,31)(H,30,32);1H3;/q;-1;+1.

What are the key properties of cesium;carbanide;5-chloro-2-methoxy-N-[4-[[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]benzamide?

cesium;carbanide;5-chloro-2-methoxy-N-[4-[[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]benzamide has a molecular weight of 625.85 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for cesium;carbanide;5-chloro-2-methoxy-N-[4-[[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]benzamide is sourced from PubChem (CID 163267053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).