(4R)-7-fluoro-2-oxo-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]-3,4-dihydro-1H-quinoline-4-carboxamide

C14H11F4N5O2 — CID 126436107

About (4R)-7-fluoro-2-oxo-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]-3,4-dihydro-1H-quinoline-4-carboxamide

(4R)-7-fluoro-2-oxo-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]-3,4-dihydro-1H-quinoline-4-carboxamide (PubChem CID 126436107) has the molecular formula C14H11F4N5O2 and a molecular weight of 357.27 g/mol. Its IUPAC name is (4R)-7-fluoro-2-oxo-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]-3,4-dihydro-1H-quinoline-4-carboxamide.

Molecular Properties

• Compound Name: (4R)-7-fluoro-2-oxo-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]-3,4-dihydro-1H-quinoline-4-carboxamide
• PubChem CID: 126436107
• Molecular Formula: C14H11F4N5O2
• Molecular Weight: 357.27 g/mol
• Exact Mass: 357.08
• IUPAC Name: (4R)-7-fluoro-2-oxo-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]-3,4-dihydro-1H-quinoline-4-carboxamide
• SMILES: O=C1C[C@@H](C(=O)NCc2nc(C(F)(F)F)n[nH]2)c2ccc(F)cc2N1
• InChI: InChI=1S/C14H11F4N5O2/c15-6-1-2-7-8(4-11(24)20-9(7)3-6)12(25)19-5-10-21-13(23-22-10)14(16,17)18/h1-3,8H,4-5H2,(H,19,25)(H,20,24)(H,21,22,23)/t8-/m1/s1
• InChIKey: SUNWDIXNTYPGIQ-MRVPVSSYSA-N
• XLogP: 1.70
• TPSA: 99.77 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	357.27
LogP ≤ 5	1.70
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (4R)-7-fluoro-2-oxo-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]-3,4-dihydro-1H-quinoline-4-carboxamide?

The IUPAC name of (4R)-7-fluoro-2-oxo-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]-3,4-dihydro-1H-quinoline-4-carboxamide (CID 126436107) is (4R)-7-fluoro-2-oxo-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]-3,4-dihydro-1H-quinoline-4-carboxamide.

What is the SMILES notation for (4R)-7-fluoro-2-oxo-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]-3,4-dihydro-1H-quinoline-4-carboxamide?

The canonical SMILES for (4R)-7-fluoro-2-oxo-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]-3,4-dihydro-1H-quinoline-4-carboxamide is O=C1C[C@@H](C(=O)NCc2nc(C(F)(F)F)n[nH]2)c2ccc(F)cc2N1.

What is the InChIKey of (4R)-7-fluoro-2-oxo-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]-3,4-dihydro-1H-quinoline-4-carboxamide?

The InChIKey is SUNWDIXNTYPGIQ-MRVPVSSYSA-N. The full InChI is InChI=1S/C14H11F4N5O2/c15-6-1-2-7-8(4-11(24)20-9(7)3-6)12(25)19-5-10-21-13(23-22-10)14(16,17)18/h1-3,8H,4-5H2,(H,19,25)(H,20,24)(H,21,22,23)/t8-/m1/s1.

What are the key properties of (4R)-7-fluoro-2-oxo-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]-3,4-dihydro-1H-quinoline-4-carboxamide?

(4R)-7-fluoro-2-oxo-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]-3,4-dihydro-1H-quinoline-4-carboxamide has a molecular weight of 357.27 g/mol, XLogP of 1.70, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-7-fluoro-2-oxo-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]-3,4-dihydro-1H-quinoline-4-carboxamide is sourced from PubChem (CID 126436107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).