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

C17H14FN7O2 — CID 119064166

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

7-fluoro-2-oxo-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]-3,4-dihydro-1H-quinoline-4-carboxamide (PubChem CID 119064166) has the molecular formula C17H14FN7O2 and a molecular weight of 367.34 g/mol. Its IUPAC name is 7-fluoro-2-oxo-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]-3,4-dihydro-1H-quinoline-4-carboxamide.

Molecular Properties

• Compound Name: 7-fluoro-2-oxo-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]-3,4-dihydro-1H-quinoline-4-carboxamide
• PubChem CID: 119064166
• Molecular Formula: C17H14FN7O2
• Molecular Weight: 367.34 g/mol
• Exact Mass: 367.12
• IUPAC Name: 7-fluoro-2-oxo-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]-3,4-dihydro-1H-quinoline-4-carboxamide
• SMILES: O=C1CC(C(=O)NCc2nc(-c3cnccn3)n[nH]2)c2ccc(F)cc2N1
• InChI: InChI=1S/C17H14FN7O2/c18-9-1-2-10-11(6-15(26)22-12(10)5-9)17(27)21-8-14-23-16(25-24-14)13-7-19-3-4-20-13/h1-5,7,11H,6,8H2,(H,21,27)(H,22,26)(H,23,24,25)
• InChIKey: QMYRAGNLDJUJKZ-UHFFFAOYSA-N
• XLogP: 1.14
• TPSA: 125.55 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	367.34
LogP ≤ 5	1.14
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 7-fluoro-2-oxo-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]-3,4-dihydro-1H-quinoline-4-carboxamide (CID 119064166) is 7-fluoro-2-oxo-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]-3,4-dihydro-1H-quinoline-4-carboxamide.

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

The canonical SMILES for 7-fluoro-2-oxo-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]-3,4-dihydro-1H-quinoline-4-carboxamide is O=C1CC(C(=O)NCc2nc(-c3cnccn3)n[nH]2)c2ccc(F)cc2N1.

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

The InChIKey is QMYRAGNLDJUJKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN7O2/c18-9-1-2-10-11(6-15(26)22-12(10)5-9)17(27)21-8-14-23-16(25-24-14)13-7-19-3-4-20-13/h1-5,7,11H,6,8H2,(H,21,27)(H,22,26)(H,23,24,25).

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

7-fluoro-2-oxo-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]-3,4-dihydro-1H-quinoline-4-carboxamide has a molecular weight of 367.34 g/mol, XLogP of 1.14, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-fluoro-2-oxo-N-[(3-pyrazin-2-yl-1H-1,2,4-triazol-5-yl)methyl]-3,4-dihydro-1H-quinoline-4-carboxamide is sourced from PubChem (CID 119064166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).