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

C20H18FN5O2 — CID 16597549

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

7-fluoro-2-oxo-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-3,4-dihydro-1H-quinoline-4-carboxamide (PubChem CID 16597549) has the molecular formula C20H18FN5O2 and a molecular weight of 379.40 g/mol. Its IUPAC name is 7-fluoro-2-oxo-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-3,4-dihydro-1H-quinoline-4-carboxamide.

Molecular Properties

• Compound Name: 7-fluoro-2-oxo-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-3,4-dihydro-1H-quinoline-4-carboxamide
• PubChem CID: 16597549
• Molecular Formula: C20H18FN5O2
• Molecular Weight: 379.40 g/mol
• Exact Mass: 379.14
• IUPAC Name: 7-fluoro-2-oxo-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-3,4-dihydro-1H-quinoline-4-carboxamide
• SMILES: CC(NC(=O)C1CC(=O)Nc2cc(F)ccc21)c1ccc(-n2cncn2)cc1
• InChI: InChI=1S/C20H18FN5O2/c1-12(13-2-5-15(6-3-13)26-11-22-10-23-26)24-20(28)17-9-19(27)25-18-8-14(21)4-7-16(17)18/h2-8,10-12,17H,9H2,1H3,(H,24,28)(H,25,27)
• InChIKey: ABOWVCXUPQNWDP-UHFFFAOYSA-N
• XLogP: 2.71
• TPSA: 88.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	379.40
LogP ≤ 5	2.71
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 7-fluoro-2-oxo-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-3,4-dihydro-1H-quinoline-4-carboxamide (CID 16597549) is 7-fluoro-2-oxo-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-3,4-dihydro-1H-quinoline-4-carboxamide.

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

The canonical SMILES for 7-fluoro-2-oxo-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-3,4-dihydro-1H-quinoline-4-carboxamide is CC(NC(=O)C1CC(=O)Nc2cc(F)ccc21)c1ccc(-n2cncn2)cc1.

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

The InChIKey is ABOWVCXUPQNWDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5O2/c1-12(13-2-5-15(6-3-13)26-11-22-10-23-26)24-20(28)17-9-19(27)25-18-8-14(21)4-7-16(17)18/h2-8,10-12,17H,9H2,1H3,(H,24,28)(H,25,27).

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

7-fluoro-2-oxo-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-3,4-dihydro-1H-quinoline-4-carboxamide has a molecular weight of 379.40 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-fluoro-2-oxo-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-3,4-dihydro-1H-quinoline-4-carboxamide is sourced from PubChem (CID 16597549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).