3-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]-4-methoxy-3-methylbutanoic acid

C16H19FN2O5 — CID 120532220

About 3-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]-4-methoxy-3-methylbutanoic acid

3-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]-4-methoxy-3-methylbutanoic acid (PubChem CID 120532220) has the molecular formula C16H19FN2O5 and a molecular weight of 338.34 g/mol. Its IUPAC name is 3-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]-4-methoxy-3-methylbutanoic acid.

Molecular Properties

• Compound Name: 3-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]-4-methoxy-3-methylbutanoic acid
• PubChem CID: 120532220
• Molecular Formula: C16H19FN2O5
• Molecular Weight: 338.34 g/mol
• Exact Mass: 338.13
• IUPAC Name: 3-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]-4-methoxy-3-methylbutanoic acid
• SMILES: COCC(C)(CC(=O)O)NC(=O)c1cc2c(cc1F)NC(=O)CC2
• InChI: InChI=1S/C16H19FN2O5/c1-16(8-24-2,7-14(21)22)19-15(23)10-5-9-3-4-13(20)18-12(9)6-11(10)17/h5-6H,3-4,7-8H2,1-2H3,(H,18,20)(H,19,23)(H,21,22)
• InChIKey: VLHNXINWJIQEOA-UHFFFAOYSA-N
• XLogP: 1.32
• TPSA: 104.73 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	338.34
LogP ≤ 5	1.32
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]-4-methoxy-3-methylbutanoic acid?

The IUPAC name of 3-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]-4-methoxy-3-methylbutanoic acid (CID 120532220) is 3-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]-4-methoxy-3-methylbutanoic acid.

What is the SMILES notation for 3-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]-4-methoxy-3-methylbutanoic acid?

The canonical SMILES for 3-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]-4-methoxy-3-methylbutanoic acid is COCC(C)(CC(=O)O)NC(=O)c1cc2c(cc1F)NC(=O)CC2.

What is the InChIKey of 3-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]-4-methoxy-3-methylbutanoic acid?

The InChIKey is VLHNXINWJIQEOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O5/c1-16(8-24-2,7-14(21)22)19-15(23)10-5-9-3-4-13(20)18-12(9)6-11(10)17/h5-6H,3-4,7-8H2,1-2H3,(H,18,20)(H,19,23)(H,21,22).

What are the key properties of 3-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]-4-methoxy-3-methylbutanoic acid?

3-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]-4-methoxy-3-methylbutanoic acid has a molecular weight of 338.34 g/mol, XLogP of 1.32, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]-4-methoxy-3-methylbutanoic acid is sourced from PubChem (CID 120532220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).