methyl 4-fluoro-3-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]benzoate

C18H14F2N2O4 — CID 46535404

About methyl 4-fluoro-3-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]benzoate

methyl 4-fluoro-3-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]benzoate (PubChem CID 46535404) has the molecular formula C18H14F2N2O4 and a molecular weight of 360.32 g/mol. Its IUPAC name is methyl 4-fluoro-3-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]benzoate.

Molecular Properties

• Compound Name: methyl 4-fluoro-3-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]benzoate
• PubChem CID: 46535404
• Molecular Formula: C18H14F2N2O4
• Molecular Weight: 360.32 g/mol
• Exact Mass: 360.09
• IUPAC Name: methyl 4-fluoro-3-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]benzoate
• SMILES: COC(=O)c1ccc(F)c(NC(=O)C2CC(=O)Nc3cc(F)ccc32)c1
• InChI: InChI=1S/C18H14F2N2O4/c1-26-18(25)9-2-5-13(20)15(6-9)22-17(24)12-8-16(23)21-14-7-10(19)3-4-11(12)14/h2-7,12H,8H2,1H3,(H,21,23)(H,22,24)
• InChIKey: HXJHGHKJSZFIBZ-UHFFFAOYSA-N
• XLogP: 2.82
• TPSA: 84.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	360.32
LogP ≤ 5	2.82
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of methyl 4-fluoro-3-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]benzoate (CID 46535404) is methyl 4-fluoro-3-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]benzoate.

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

The canonical SMILES for methyl 4-fluoro-3-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]benzoate is COC(=O)c1ccc(F)c(NC(=O)C2CC(=O)Nc3cc(F)ccc32)c1.

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

The InChIKey is HXJHGHKJSZFIBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N2O4/c1-26-18(25)9-2-5-13(20)15(6-9)22-17(24)12-8-16(23)21-14-7-10(19)3-4-11(12)14/h2-7,12H,8H2,1H3,(H,21,23)(H,22,24).

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

methyl 4-fluoro-3-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]benzoate has a molecular weight of 360.32 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 4-fluoro-3-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]benzoate is sourced from PubChem (CID 46535404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).