1-(4-chloro-2-fluorophenyl)-6,7-dimethyl-4-oxo-N-[2-(trifluoromethyl)-4-pyridinyl]cinnoline-3-carboxamide

C23H15ClF4N4O2 — CID 177048189

About 1-(4-chloro-2-fluorophenyl)-6,7-dimethyl-4-oxo-N-[2-(trifluoromethyl)-4-pyridinyl]cinnoline-3-carboxamide

1-(4-chloro-2-fluorophenyl)-6,7-dimethyl-4-oxo-N-[2-(trifluoromethyl)-4-pyridinyl]cinnoline-3-carboxamide (PubChem CID 177048189) has the molecular formula C23H15ClF4N4O2 and a molecular weight of 490.84 g/mol. Its IUPAC name is 1-(4-chloro-2-fluorophenyl)-6,7-dimethyl-4-oxo-N-[2-(trifluoromethyl)-4-pyridinyl]cinnoline-3-carboxamide.

Molecular Properties

• Compound Name: 1-(4-chloro-2-fluorophenyl)-6,7-dimethyl-4-oxo-N-[2-(trifluoromethyl)-4-pyridinyl]cinnoline-3-carboxamide
• PubChem CID: 177048189
• Molecular Formula: C23H15ClF4N4O2
• Molecular Weight: 490.84 g/mol
• Exact Mass: 490.08
• IUPAC Name: 1-(4-chloro-2-fluorophenyl)-6,7-dimethyl-4-oxo-N-[2-(trifluoromethyl)-4-pyridinyl]cinnoline-3-carboxamide
• SMILES: Cc1cc2c(=O)c(C(=O)Nc3ccnc(C(F)(F)F)c3)nn(-c3ccc(Cl)cc3F)c2cc1C
• InChI: InChI=1S/C23H15ClF4N4O2/c1-11-7-15-18(8-12(11)2)32(17-4-3-13(24)9-16(17)25)31-20(21(15)33)22(34)30-14-5-6-29-19(10-14)23(26,27)28/h3-10H,1-2H3,(H,29,30,34)
• InChIKey: YMUVUSOJSFJTQN-UHFFFAOYSA-N
• XLogP: 5.46
• TPSA: 76.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	490.84
LogP ≤ 5	5.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluorophenyl)-6,7-dimethyl-4-oxo-N-[2-(trifluoromethyl)-4-pyridinyl]cinnoline-3-carboxamide?

The IUPAC name of 1-(4-chloro-2-fluorophenyl)-6,7-dimethyl-4-oxo-N-[2-(trifluoromethyl)-4-pyridinyl]cinnoline-3-carboxamide (CID 177048189) is 1-(4-chloro-2-fluorophenyl)-6,7-dimethyl-4-oxo-N-[2-(trifluoromethyl)-4-pyridinyl]cinnoline-3-carboxamide.

What is the SMILES notation for 1-(4-chloro-2-fluorophenyl)-6,7-dimethyl-4-oxo-N-[2-(trifluoromethyl)-4-pyridinyl]cinnoline-3-carboxamide?

The canonical SMILES for 1-(4-chloro-2-fluorophenyl)-6,7-dimethyl-4-oxo-N-[2-(trifluoromethyl)-4-pyridinyl]cinnoline-3-carboxamide is Cc1cc2c(=O)c(C(=O)Nc3ccnc(C(F)(F)F)c3)nn(-c3ccc(Cl)cc3F)c2cc1C.

What is the InChIKey of 1-(4-chloro-2-fluorophenyl)-6,7-dimethyl-4-oxo-N-[2-(trifluoromethyl)-4-pyridinyl]cinnoline-3-carboxamide?

The InChIKey is YMUVUSOJSFJTQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15ClF4N4O2/c1-11-7-15-18(8-12(11)2)32(17-4-3-13(24)9-16(17)25)31-20(21(15)33)22(34)30-14-5-6-29-19(10-14)23(26,27)28/h3-10H,1-2H3,(H,29,30,34).

What are the key properties of 1-(4-chloro-2-fluorophenyl)-6,7-dimethyl-4-oxo-N-[2-(trifluoromethyl)-4-pyridinyl]cinnoline-3-carboxamide?

1-(4-chloro-2-fluorophenyl)-6,7-dimethyl-4-oxo-N-[2-(trifluoromethyl)-4-pyridinyl]cinnoline-3-carboxamide has a molecular weight of 490.84 g/mol, XLogP of 5.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-chloro-2-fluorophenyl)-6,7-dimethyl-4-oxo-N-[2-(trifluoromethyl)-4-pyridinyl]cinnoline-3-carboxamide is sourced from PubChem (CID 177048189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).