3-[3-[[(1S)-1-(6-chloro-7-fluoro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-2-fluorophenyl]-1,3-oxazolidin-2-one

C20H16ClF2N3O3 — CID 118955754

About 3-[3-[[(1S)-1-(6-chloro-7-fluoro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-2-fluorophenyl]-1,3-oxazolidin-2-one

3-[3-[[(1S)-1-(6-chloro-7-fluoro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-2-fluorophenyl]-1,3-oxazolidin-2-one (PubChem CID 118955754) has the molecular formula C20H16ClF2N3O3 and a molecular weight of 419.82 g/mol. Its IUPAC name is 3-[3-[[(1S)-1-(6-chloro-7-fluoro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-2-fluorophenyl]-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: 3-[3-[[(1S)-1-(6-chloro-7-fluoro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-2-fluorophenyl]-1,3-oxazolidin-2-one
• PubChem CID: 118955754
• Molecular Formula: C20H16ClF2N3O3
• Molecular Weight: 419.82 g/mol
• Exact Mass: 419.08
• IUPAC Name: 3-[3-[[(1S)-1-(6-chloro-7-fluoro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-2-fluorophenyl]-1,3-oxazolidin-2-one
• SMILES: C[C@H](Nc1cccc(N2CCOC2=O)c1F)c1cc2cc(Cl)c(F)cc2[nH]c1=O
• InChI: InChI=1S/C20H16ClF2N3O3/c1-10(12-7-11-8-13(21)14(22)9-16(11)25-19(12)27)24-15-3-2-4-17(18(15)23)26-5-6-29-20(26)28/h2-4,7-10,24H,5-6H2,1H3,(H,25,27)/t10-/m0/s1
• InChIKey: CIRSNNXOSWNXHU-JTQLQIEISA-N
• XLogP: 4.59
• TPSA: 74.43 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	419.82
LogP ≤ 5	4.59
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-[3-[[(1S)-1-(6-chloro-7-fluoro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-2-fluorophenyl]-1,3-oxazolidin-2-one?

The IUPAC name of 3-[3-[[(1S)-1-(6-chloro-7-fluoro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-2-fluorophenyl]-1,3-oxazolidin-2-one (CID 118955754) is 3-[3-[[(1S)-1-(6-chloro-7-fluoro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-2-fluorophenyl]-1,3-oxazolidin-2-one.

What is the SMILES notation for 3-[3-[[(1S)-1-(6-chloro-7-fluoro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-2-fluorophenyl]-1,3-oxazolidin-2-one?

The canonical SMILES for 3-[3-[[(1S)-1-(6-chloro-7-fluoro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-2-fluorophenyl]-1,3-oxazolidin-2-one is C[C@H](Nc1cccc(N2CCOC2=O)c1F)c1cc2cc(Cl)c(F)cc2[nH]c1=O.

What is the InChIKey of 3-[3-[[(1S)-1-(6-chloro-7-fluoro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-2-fluorophenyl]-1,3-oxazolidin-2-one?

The InChIKey is CIRSNNXOSWNXHU-JTQLQIEISA-N. The full InChI is InChI=1S/C20H16ClF2N3O3/c1-10(12-7-11-8-13(21)14(22)9-16(11)25-19(12)27)24-15-3-2-4-17(18(15)23)26-5-6-29-20(26)28/h2-4,7-10,24H,5-6H2,1H3,(H,25,27)/t10-/m0/s1.

What are the key properties of 3-[3-[[(1S)-1-(6-chloro-7-fluoro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-2-fluorophenyl]-1,3-oxazolidin-2-one?

3-[3-[[(1S)-1-(6-chloro-7-fluoro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-2-fluorophenyl]-1,3-oxazolidin-2-one has a molecular weight of 419.82 g/mol, XLogP of 4.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-[[(1S)-1-(6-chloro-7-fluoro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-2-fluorophenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 118955754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).