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

C26H22ClFN4O4 — CID 118955739

IUPAC3-[3-[[(1S)-1-[6-chloro-2-oxo-7-(pyridin-2-ylmethoxy)-1H-quinolin-3-yl]ethyl]amino]-2-fluorophenyl]-1,3-oxazolidin-2-one
SMILESC[C@H](Nc1cccc(N2CCOC2=O)c1F)c1cc2cc(Cl)c(OCc3ccccn3)cc2[nH]c1=O
InChIInChI=1S/C26H22ClFN4O4/c1-15(30-20-6-4-7-22(24(20)28)32-9-10-35-26(32)34)18-11-16-12-19(27)23(13-21(16)31-25(18)33)36-14-17-5-2-3-8-29-17/h2-8,11-13,15,30H,9-10,14H2,1H3,(H,31,33)/t15-/m0/s1
InChIKeyBENSIZUSSMEOAF-HNNXBMFYSA-N
MW508.94 g/mol
LogP5.42
Rot. Bonds7

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

3-[3-[[(1S)-1-[6-chloro-2-oxo-7-(pyridin-2-ylmethoxy)-1H-quinolin-3-yl]ethyl]amino]-2-fluorophenyl]-1,3-oxazolidin-2-one (PubChem CID 118955739) has the molecular formula C26H22ClFN4O4 and a molecular weight of 508.94 g/mol. Its IUPAC name is 3-[3-[[(1S)-1-[6-chloro-2-oxo-7-(pyridin-2-ylmethoxy)-1H-quinolin-3-yl]ethyl]amino]-2-fluorophenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[3-[[(1S)-1-[6-chloro-2-oxo-7-(pyridin-2-ylmethoxy)-1H-quinolin-3-yl]ethyl]amino]-2-fluorophenyl]-1,3-oxazolidin-2-one
PubChem CID118955739
Molecular FormulaC26H22ClFN4O4
Molecular Weight508.94 g/mol
Exact Mass508.13
IUPAC Name3-[3-[[(1S)-1-[6-chloro-2-oxo-7-(pyridin-2-ylmethoxy)-1H-quinolin-3-yl]ethyl]amino]-2-fluorophenyl]-1,3-oxazolidin-2-one
SMILESC[C@H](Nc1cccc(N2CCOC2=O)c1F)c1cc2cc(Cl)c(OCc3ccccn3)cc2[nH]c1=O
InChIInChI=1S/C26H22ClFN4O4/c1-15(30-20-6-4-7-22(24(20)28)32-9-10-35-26(32)34)18-11-16-12-19(27)23(13-21(16)31-25(18)33)36-14-17-5-2-3-8-29-17/h2-8,11-13,15,30H,9-10,14H2,1H3,(H,31,33)/t15-/m0/s1
InChIKeyBENSIZUSSMEOAF-HNNXBMFYSA-N
XLogP5.42
TPSA96.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.94
LogP ≤ 55.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[3-[[(1S)-1-[6-chloro-2-oxo-7-(pyridin-2-ylmethoxy)-1H-quinolin-3-yl]ethyl]amino]-2-fluorophenyl]-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[3-[[(1S)-1-[6-chloro-2-oxo-7-(pyridin-2-ylmethoxy)-1H-quinolin-3-yl]ethyl]amino]-2-fluorophenyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[3-[[(1S)-1-[6-chloro-2-oxo-7-(pyridin-2-ylmethoxy)-1H-quinolin-3-yl]ethyl]amino]-2-fluorophenyl]-1,3-oxazolidin-2-one (CID 118955739) is 3-[3-[[(1S)-1-[6-chloro-2-oxo-7-(pyridin-2-ylmethoxy)-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-2-oxo-7-(pyridin-2-ylmethoxy)-1H-quinolin-3-yl]ethyl]amino]-2-fluorophenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[3-[[(1S)-1-[6-chloro-2-oxo-7-(pyridin-2-ylmethoxy)-1H-quinolin-3-yl]ethyl]amino]-2-fluorophenyl]-1,3-oxazolidin-2-one is C[C@H](Nc1cccc(N2CCOC2=O)c1F)c1cc2cc(Cl)c(OCc3ccccn3)cc2[nH]c1=O.
What is the InChIKey of 3-[3-[[(1S)-1-[6-chloro-2-oxo-7-(pyridin-2-ylmethoxy)-1H-quinolin-3-yl]ethyl]amino]-2-fluorophenyl]-1,3-oxazolidin-2-one?
The InChIKey is BENSIZUSSMEOAF-HNNXBMFYSA-N. The full InChI is InChI=1S/C26H22ClFN4O4/c1-15(30-20-6-4-7-22(24(20)28)32-9-10-35-26(32)34)18-11-16-12-19(27)23(13-21(16)31-25(18)33)36-14-17-5-2-3-8-29-17/h2-8,11-13,15,30H,9-10,14H2,1H3,(H,31,33)/t15-/m0/s1.
What are the key properties of 3-[3-[[(1S)-1-[6-chloro-2-oxo-7-(pyridin-2-ylmethoxy)-1H-quinolin-3-yl]ethyl]amino]-2-fluorophenyl]-1,3-oxazolidin-2-one?
3-[3-[[(1S)-1-[6-chloro-2-oxo-7-(pyridin-2-ylmethoxy)-1H-quinolin-3-yl]ethyl]amino]-2-fluorophenyl]-1,3-oxazolidin-2-one has a molecular weight of 508.94 g/mol, XLogP of 5.42, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[[(1S)-1-[6-chloro-2-oxo-7-(pyridin-2-ylmethoxy)-1H-quinolin-3-yl]ethyl]amino]-2-fluorophenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 118955739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).