(4S)-4-(2-chloroquinolin-3-yl)-1,3-oxazolidin-2-one

C12H9ClN2O2 — CID 171252851

IUPAC(4S)-4-(2-chloroquinolin-3-yl)-1,3-oxazolidin-2-one
SMILESO=C1N[C@@H](c2cc3ccccc3nc2Cl)CO1
InChIInChI=1S/C12H9ClN2O2/c13-11-8(10-6-17-12(16)15-10)5-7-3-1-2-4-9(7)14-11/h1-5,10H,6H2,(H,15,16)/t10-/m1/s1
InChIKeyMOASCGXRFQFUQK-SNVBAGLBSA-N
MW248.67 g/mol
LogP2.67
Rot. Bonds1

About (4S)-4-(2-chloroquinolin-3-yl)-1,3-oxazolidin-2-one

(4S)-4-(2-chloroquinolin-3-yl)-1,3-oxazolidin-2-one (PubChem CID 171252851) has the molecular formula C12H9ClN2O2 and a molecular weight of 248.67 g/mol. Its IUPAC name is (4S)-4-(2-chloroquinolin-3-yl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-(2-chloroquinolin-3-yl)-1,3-oxazolidin-2-one
PubChem CID171252851
Molecular FormulaC12H9ClN2O2
Molecular Weight248.67 g/mol
Exact Mass248.04
IUPAC Name(4S)-4-(2-chloroquinolin-3-yl)-1,3-oxazolidin-2-one
SMILESO=C1N[C@@H](c2cc3ccccc3nc2Cl)CO1
InChIInChI=1S/C12H9ClN2O2/c13-11-8(10-6-17-12(16)15-10)5-7-3-1-2-4-9(7)14-11/h1-5,10H,6H2,(H,15,16)/t10-/m1/s1
InChIKeyMOASCGXRFQFUQK-SNVBAGLBSA-N
XLogP2.67
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.67
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-(2-chloroquinolin-3-yl)-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-(2-chloroquinolin-3-yl)-1,3-oxazolidin-2-one (CID 171252851) is (4S)-4-(2-chloroquinolin-3-yl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-(2-chloroquinolin-3-yl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-(2-chloroquinolin-3-yl)-1,3-oxazolidin-2-one is O=C1N[C@@H](c2cc3ccccc3nc2Cl)CO1.
What is the InChIKey of (4S)-4-(2-chloroquinolin-3-yl)-1,3-oxazolidin-2-one?
The InChIKey is MOASCGXRFQFUQK-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H9ClN2O2/c13-11-8(10-6-17-12(16)15-10)5-7-3-1-2-4-9(7)14-11/h1-5,10H,6H2,(H,15,16)/t10-/m1/s1.
What are the key properties of (4S)-4-(2-chloroquinolin-3-yl)-1,3-oxazolidin-2-one?
(4S)-4-(2-chloroquinolin-3-yl)-1,3-oxazolidin-2-one has a molecular weight of 248.67 g/mol, XLogP of 2.67, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(2-chloroquinolin-3-yl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 171252851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).