3-[2-[[(1S)-1-(6-chloro-8-fluoro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-3-fluoro-4-pyridinyl]-1,3-oxazolidin-2-one

C19H15ClF2N4O3 — CID 118956123

About 3-[2-[[(1S)-1-(6-chloro-8-fluoro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-3-fluoro-4-pyridinyl]-1,3-oxazolidin-2-one

3-[2-[[(1S)-1-(6-chloro-8-fluoro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-3-fluoro-4-pyridinyl]-1,3-oxazolidin-2-one (PubChem CID 118956123) has the molecular formula C19H15ClF2N4O3 and a molecular weight of 420.80 g/mol. Its IUPAC name is 3-[2-[[(1S)-1-(6-chloro-8-fluoro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-3-fluoro-4-pyridinyl]-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: 3-[2-[[(1S)-1-(6-chloro-8-fluoro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-3-fluoro-4-pyridinyl]-1,3-oxazolidin-2-one
• PubChem CID: 118956123
• Molecular Formula: C19H15ClF2N4O3
• Molecular Weight: 420.80 g/mol
• Exact Mass: 420.08
• IUPAC Name: 3-[2-[[(1S)-1-(6-chloro-8-fluoro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-3-fluoro-4-pyridinyl]-1,3-oxazolidin-2-one
• SMILES: C[C@H](Nc1nccc(N2CCOC2=O)c1F)c1cc2cc(Cl)cc(F)c2[nH]c1=O
• InChI: InChI=1S/C19H15ClF2N4O3/c1-9(12-7-10-6-11(20)8-13(21)16(10)25-18(12)27)24-17-15(22)14(2-3-23-17)26-4-5-29-19(26)28/h2-3,6-9H,4-5H2,1H3,(H,23,24)(H,25,27)/t9-/m0/s1
• InChIKey: LYIKBODBMILSET-VIFPVBQESA-N
• XLogP: 3.98
• TPSA: 87.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	420.80
LogP ≤ 5	3.98
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[2-[[(1S)-1-(6-chloro-8-fluoro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-3-fluoro-4-pyridinyl]-1,3-oxazolidin-2-one?

The IUPAC name of 3-[2-[[(1S)-1-(6-chloro-8-fluoro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-3-fluoro-4-pyridinyl]-1,3-oxazolidin-2-one (CID 118956123) is 3-[2-[[(1S)-1-(6-chloro-8-fluoro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-3-fluoro-4-pyridinyl]-1,3-oxazolidin-2-one.

What is the SMILES notation for 3-[2-[[(1S)-1-(6-chloro-8-fluoro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-3-fluoro-4-pyridinyl]-1,3-oxazolidin-2-one?

The canonical SMILES for 3-[2-[[(1S)-1-(6-chloro-8-fluoro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-3-fluoro-4-pyridinyl]-1,3-oxazolidin-2-one is C[C@H](Nc1nccc(N2CCOC2=O)c1F)c1cc2cc(Cl)cc(F)c2[nH]c1=O.

What is the InChIKey of 3-[2-[[(1S)-1-(6-chloro-8-fluoro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-3-fluoro-4-pyridinyl]-1,3-oxazolidin-2-one?

The InChIKey is LYIKBODBMILSET-VIFPVBQESA-N. The full InChI is InChI=1S/C19H15ClF2N4O3/c1-9(12-7-10-6-11(20)8-13(21)16(10)25-18(12)27)24-17-15(22)14(2-3-23-17)26-4-5-29-19(26)28/h2-3,6-9H,4-5H2,1H3,(H,23,24)(H,25,27)/t9-/m0/s1.

What are the key properties of 3-[2-[[(1S)-1-(6-chloro-8-fluoro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-3-fluoro-4-pyridinyl]-1,3-oxazolidin-2-one?

3-[2-[[(1S)-1-(6-chloro-8-fluoro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-3-fluoro-4-pyridinyl]-1,3-oxazolidin-2-one has a molecular weight of 420.80 g/mol, XLogP of 3.98, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[[(1S)-1-(6-chloro-8-fluoro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-3-fluoro-4-pyridinyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 118956123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).