3-[2-[[(1S)-1-[6-chloro-2-oxo-7-[(1R)-1-pyridin-2-ylethoxy]-1H-quinolin-3-yl]ethyl]amino]-1,3-thiazol-5-yl]-1,3-oxazolidin-2-one

C24H22ClN5O4S — CID 122637678

About 3-[2-[[(1S)-1-[6-chloro-2-oxo-7-[(1R)-1-pyridin-2-ylethoxy]-1H-quinolin-3-yl]ethyl]amino]-1,3-thiazol-5-yl]-1,3-oxazolidin-2-one

3-[2-[[(1S)-1-[6-chloro-2-oxo-7-[(1R)-1-pyridin-2-ylethoxy]-1H-quinolin-3-yl]ethyl]amino]-1,3-thiazol-5-yl]-1,3-oxazolidin-2-one (PubChem CID 122637678) has the molecular formula C24H22ClN5O4S and a molecular weight of 511.99 g/mol. Its IUPAC name is 3-[2-[[(1S)-1-[6-chloro-2-oxo-7-[(1R)-1-pyridin-2-ylethoxy]-1H-quinolin-3-yl]ethyl]amino]-1,3-thiazol-5-yl]-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: 3-[2-[[(1S)-1-[6-chloro-2-oxo-7-[(1R)-1-pyridin-2-ylethoxy]-1H-quinolin-3-yl]ethyl]amino]-1,3-thiazol-5-yl]-1,3-oxazolidin-2-one
• PubChem CID: 122637678
• Molecular Formula: C24H22ClN5O4S
• Molecular Weight: 511.99 g/mol
• Exact Mass: 511.11
• IUPAC Name: 3-[2-[[(1S)-1-[6-chloro-2-oxo-7-[(1R)-1-pyridin-2-ylethoxy]-1H-quinolin-3-yl]ethyl]amino]-1,3-thiazol-5-yl]-1,3-oxazolidin-2-one
• SMILES: C[C@H](Nc1ncc(N2CCOC2=O)s1)c1cc2cc(Cl)c(O[C@H](C)c3ccccn3)cc2[nH]c1=O
• InChI: InChI=1S/C24H22ClN5O4S/c1-13(28-23-27-12-21(35-23)30-7-8-33-24(30)32)16-9-15-10-17(25)20(11-19(15)29-22(16)31)34-14(2)18-5-3-4-6-26-18/h3-6,9-14H,7-8H2,1-2H3,(H,27,28)(H,29,31)/t13-,14+/m0/s1
• InChIKey: PJQGZWNYIGCTPO-UONOGXRCSA-N
• XLogP: 5.30
• TPSA: 109.44 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	511.99
LogP ≤ 5	5.30
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-[2-[[(1S)-1-[6-chloro-2-oxo-7-[(1R)-1-pyridin-2-ylethoxy]-1H-quinolin-3-yl]ethyl]amino]-1,3-thiazol-5-yl]-1,3-oxazolidin-2-one?

The IUPAC name of 3-[2-[[(1S)-1-[6-chloro-2-oxo-7-[(1R)-1-pyridin-2-ylethoxy]-1H-quinolin-3-yl]ethyl]amino]-1,3-thiazol-5-yl]-1,3-oxazolidin-2-one (CID 122637678) is 3-[2-[[(1S)-1-[6-chloro-2-oxo-7-[(1R)-1-pyridin-2-ylethoxy]-1H-quinolin-3-yl]ethyl]amino]-1,3-thiazol-5-yl]-1,3-oxazolidin-2-one.

What is the SMILES notation for 3-[2-[[(1S)-1-[6-chloro-2-oxo-7-[(1R)-1-pyridin-2-ylethoxy]-1H-quinolin-3-yl]ethyl]amino]-1,3-thiazol-5-yl]-1,3-oxazolidin-2-one?

The canonical SMILES for 3-[2-[[(1S)-1-[6-chloro-2-oxo-7-[(1R)-1-pyridin-2-ylethoxy]-1H-quinolin-3-yl]ethyl]amino]-1,3-thiazol-5-yl]-1,3-oxazolidin-2-one is C[C@H](Nc1ncc(N2CCOC2=O)s1)c1cc2cc(Cl)c(O[C@H](C)c3ccccn3)cc2[nH]c1=O.

What is the InChIKey of 3-[2-[[(1S)-1-[6-chloro-2-oxo-7-[(1R)-1-pyridin-2-ylethoxy]-1H-quinolin-3-yl]ethyl]amino]-1,3-thiazol-5-yl]-1,3-oxazolidin-2-one?

The InChIKey is PJQGZWNYIGCTPO-UONOGXRCSA-N. The full InChI is InChI=1S/C24H22ClN5O4S/c1-13(28-23-27-12-21(35-23)30-7-8-33-24(30)32)16-9-15-10-17(25)20(11-19(15)29-22(16)31)34-14(2)18-5-3-4-6-26-18/h3-6,9-14H,7-8H2,1-2H3,(H,27,28)(H,29,31)/t13-,14+/m0/s1.

What are the key properties of 3-[2-[[(1S)-1-[6-chloro-2-oxo-7-[(1R)-1-pyridin-2-ylethoxy]-1H-quinolin-3-yl]ethyl]amino]-1,3-thiazol-5-yl]-1,3-oxazolidin-2-one?

3-[2-[[(1S)-1-[6-chloro-2-oxo-7-[(1R)-1-pyridin-2-ylethoxy]-1H-quinolin-3-yl]ethyl]amino]-1,3-thiazol-5-yl]-1,3-oxazolidin-2-one has a molecular weight of 511.99 g/mol, XLogP of 5.30, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[[(1S)-1-[6-chloro-2-oxo-7-[(1R)-1-pyridin-2-ylethoxy]-1H-quinolin-3-yl]ethyl]amino]-1,3-thiazol-5-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 122637678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).