3-[2-[[(1S)-1-[6-chloro-2-oxo-7-(pyridin-2-ylmethoxy)-1H-quinolin-3-yl]ethyl]amino]-3-fluoro-4-pyridinyl]-1,3-oxazolidin-2-one

C25H21ClFN5O4 — CID 118956059

About 3-[2-[[(1S)-1-[6-chloro-2-oxo-7-(pyridin-2-ylmethoxy)-1H-quinolin-3-yl]ethyl]amino]-3-fluoro-4-pyridinyl]-1,3-oxazolidin-2-one

3-[2-[[(1S)-1-[6-chloro-2-oxo-7-(pyridin-2-ylmethoxy)-1H-quinolin-3-yl]ethyl]amino]-3-fluoro-4-pyridinyl]-1,3-oxazolidin-2-one (PubChem CID 118956059) has the molecular formula C25H21ClFN5O4 and a molecular weight of 509.93 g/mol. Its IUPAC name is 3-[2-[[(1S)-1-[6-chloro-2-oxo-7-(pyridin-2-ylmethoxy)-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-2-oxo-7-(pyridin-2-ylmethoxy)-1H-quinolin-3-yl]ethyl]amino]-3-fluoro-4-pyridinyl]-1,3-oxazolidin-2-one
• PubChem CID: 118956059
• Molecular Formula: C25H21ClFN5O4
• Molecular Weight: 509.93 g/mol
• Exact Mass: 509.13
• IUPAC Name: 3-[2-[[(1S)-1-[6-chloro-2-oxo-7-(pyridin-2-ylmethoxy)-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)c(OCc3ccccn3)cc2[nH]c1=O
• InChI: InChI=1S/C25H21ClFN5O4/c1-14(30-23-22(27)20(5-7-29-23)32-8-9-35-25(32)34)17-10-15-11-18(26)21(12-19(15)31-24(17)33)36-13-16-4-2-3-6-28-16/h2-7,10-12,14H,8-9,13H2,1H3,(H,29,30)(H,31,33)/t14-/m0/s1
• InChIKey: HEZMTKJBKHAXCY-AWEZNQCLSA-N
• XLogP: 4.82
• TPSA: 109.44 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	509.93
LogP ≤ 5	4.82
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[2-[[(1S)-1-[6-chloro-2-oxo-7-(pyridin-2-ylmethoxy)-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-2-oxo-7-(pyridin-2-ylmethoxy)-1H-quinolin-3-yl]ethyl]amino]-3-fluoro-4-pyridinyl]-1,3-oxazolidin-2-one (CID 118956059) is 3-[2-[[(1S)-1-[6-chloro-2-oxo-7-(pyridin-2-ylmethoxy)-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-2-oxo-7-(pyridin-2-ylmethoxy)-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-2-oxo-7-(pyridin-2-ylmethoxy)-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)c(OCc3ccccn3)cc2[nH]c1=O.

What is the InChIKey of 3-[2-[[(1S)-1-[6-chloro-2-oxo-7-(pyridin-2-ylmethoxy)-1H-quinolin-3-yl]ethyl]amino]-3-fluoro-4-pyridinyl]-1,3-oxazolidin-2-one?

The InChIKey is HEZMTKJBKHAXCY-AWEZNQCLSA-N. The full InChI is InChI=1S/C25H21ClFN5O4/c1-14(30-23-22(27)20(5-7-29-23)32-8-9-35-25(32)34)17-10-15-11-18(26)21(12-19(15)31-24(17)33)36-13-16-4-2-3-6-28-16/h2-7,10-12,14H,8-9,13H2,1H3,(H,29,30)(H,31,33)/t14-/m0/s1.

What are the key properties of 3-[2-[[(1S)-1-[6-chloro-2-oxo-7-(pyridin-2-ylmethoxy)-1H-quinolin-3-yl]ethyl]amino]-3-fluoro-4-pyridinyl]-1,3-oxazolidin-2-one?

3-[2-[[(1S)-1-[6-chloro-2-oxo-7-(pyridin-2-ylmethoxy)-1H-quinolin-3-yl]ethyl]amino]-3-fluoro-4-pyridinyl]-1,3-oxazolidin-2-one has a molecular weight of 509.93 g/mol, XLogP of 4.82, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[[(1S)-1-[6-chloro-2-oxo-7-(pyridin-2-ylmethoxy)-1H-quinolin-3-yl]ethyl]amino]-3-fluoro-4-pyridinyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 118956059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).