4-oxo-N-[(1S)-1-pyridin-2-ylethyl]-5-[4-(trifluoromethyl)phenyl]furo[3,4-c]quinoline-8-carboxamide

C26H18F3N3O3 — CID 176741241

About 4-oxo-N-[(1S)-1-pyridin-2-ylethyl]-5-[4-(trifluoromethyl)phenyl]furo[3,4-c]quinoline-8-carboxamide

4-oxo-N-[(1S)-1-pyridin-2-ylethyl]-5-[4-(trifluoromethyl)phenyl]furo[3,4-c]quinoline-8-carboxamide (PubChem CID 176741241) has the molecular formula C26H18F3N3O3 and a molecular weight of 477.44 g/mol. Its IUPAC name is 4-oxo-N-[(1S)-1-pyridin-2-ylethyl]-5-[4-(trifluoromethyl)phenyl]furo[3,4-c]quinoline-8-carboxamide.

Molecular Properties

• Compound Name: 4-oxo-N-[(1S)-1-pyridin-2-ylethyl]-5-[4-(trifluoromethyl)phenyl]furo[3,4-c]quinoline-8-carboxamide
• PubChem CID: 176741241
• Molecular Formula: C26H18F3N3O3
• Molecular Weight: 477.44 g/mol
• Exact Mass: 477.13
• IUPAC Name: 4-oxo-N-[(1S)-1-pyridin-2-ylethyl]-5-[4-(trifluoromethyl)phenyl]furo[3,4-c]quinoline-8-carboxamide
• SMILES: C[C@H](NC(=O)c1ccc2c(c1)c1cocc1c(=O)n2-c1ccc(C(F)(F)F)cc1)c1ccccn1
• InChI: InChI=1S/C26H18F3N3O3/c1-15(22-4-2-3-11-30-22)31-24(33)16-5-10-23-19(12-16)20-13-35-14-21(20)25(34)32(23)18-8-6-17(7-9-18)26(27,28)29/h2-15H,1H3,(H,31,33)/t15-/m0/s1
• InChIKey: JCOHBIZXCCFQGB-HNNXBMFYSA-N
• XLogP: 5.64
• TPSA: 77.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	477.44
LogP ≤ 5	5.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-[(1S)-1-pyridin-2-ylethyl]-5-[4-(trifluoromethyl)phenyl]furo[3,4-c]quinoline-8-carboxamide?

The IUPAC name of 4-oxo-N-[(1S)-1-pyridin-2-ylethyl]-5-[4-(trifluoromethyl)phenyl]furo[3,4-c]quinoline-8-carboxamide (CID 176741241) is 4-oxo-N-[(1S)-1-pyridin-2-ylethyl]-5-[4-(trifluoromethyl)phenyl]furo[3,4-c]quinoline-8-carboxamide.

What is the SMILES notation for 4-oxo-N-[(1S)-1-pyridin-2-ylethyl]-5-[4-(trifluoromethyl)phenyl]furo[3,4-c]quinoline-8-carboxamide?

The canonical SMILES for 4-oxo-N-[(1S)-1-pyridin-2-ylethyl]-5-[4-(trifluoromethyl)phenyl]furo[3,4-c]quinoline-8-carboxamide is C[C@H](NC(=O)c1ccc2c(c1)c1cocc1c(=O)n2-c1ccc(C(F)(F)F)cc1)c1ccccn1.

What is the InChIKey of 4-oxo-N-[(1S)-1-pyridin-2-ylethyl]-5-[4-(trifluoromethyl)phenyl]furo[3,4-c]quinoline-8-carboxamide?

The InChIKey is JCOHBIZXCCFQGB-HNNXBMFYSA-N. The full InChI is InChI=1S/C26H18F3N3O3/c1-15(22-4-2-3-11-30-22)31-24(33)16-5-10-23-19(12-16)20-13-35-14-21(20)25(34)32(23)18-8-6-17(7-9-18)26(27,28)29/h2-15H,1H3,(H,31,33)/t15-/m0/s1.

What are the key properties of 4-oxo-N-[(1S)-1-pyridin-2-ylethyl]-5-[4-(trifluoromethyl)phenyl]furo[3,4-c]quinoline-8-carboxamide?

4-oxo-N-[(1S)-1-pyridin-2-ylethyl]-5-[4-(trifluoromethyl)phenyl]furo[3,4-c]quinoline-8-carboxamide has a molecular weight of 477.44 g/mol, XLogP of 5.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-oxo-N-[(1S)-1-pyridin-2-ylethyl]-5-[4-(trifluoromethyl)phenyl]furo[3,4-c]quinoline-8-carboxamide is sourced from PubChem (CID 176741241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).