2-[3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanoylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide

C19H19FN4O4 — CID 110624095

About 2-[3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanoylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide

2-[3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanoylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide (PubChem CID 110624095) has the molecular formula C19H19FN4O4 and a molecular weight of 386.38 g/mol. Its IUPAC name is 2-[3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanoylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide.

Molecular Properties

• Compound Name: 2-[3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanoylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
• PubChem CID: 110624095
• Molecular Formula: C19H19FN4O4
• Molecular Weight: 386.38 g/mol
• Exact Mass: 386.14
• IUPAC Name: 2-[3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanoylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
• SMILES: Cc1cc(NC(=O)C(C)NC(=O)CCc2cc3ccc(F)cc3[nH]c2=O)no1
• InChI: InChI=1S/C19H19FN4O4/c1-10-7-16(24-28-10)23-18(26)11(2)21-17(25)6-4-13-8-12-3-5-14(20)9-15(12)22-19(13)27/h3,5,7-9,11H,4,6H2,1-2H3,(H,21,25)(H,22,27)(H,23,24,26)
• InChIKey: YGFHSLWUCUXZRR-UHFFFAOYSA-N
• XLogP: 2.04
• TPSA: 117.09 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	386.38
LogP ≤ 5	2.04
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanoylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?

The IUPAC name of 2-[3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanoylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide (CID 110624095) is 2-[3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanoylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide.

What is the SMILES notation for 2-[3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanoylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?

The canonical SMILES for 2-[3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanoylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide is Cc1cc(NC(=O)C(C)NC(=O)CCc2cc3ccc(F)cc3[nH]c2=O)no1.

What is the InChIKey of 2-[3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanoylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?

The InChIKey is YGFHSLWUCUXZRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O4/c1-10-7-16(24-28-10)23-18(26)11(2)21-17(25)6-4-13-8-12-3-5-14(20)9-15(12)22-19(13)27/h3,5,7-9,11H,4,6H2,1-2H3,(H,21,25)(H,22,27)(H,23,24,26).

What are the key properties of 2-[3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanoylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?

2-[3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanoylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide has a molecular weight of 386.38 g/mol, XLogP of 2.04, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanoylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide is sourced from PubChem (CID 110624095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).