6-bromo-2-chloroquinoline;3-[2-(6-bromoquinolin-2-yl)oxyethyl]-1,3-oxazolidin-2-one

C23H18Br2ClN3O3 — CID 159705144

IUPAC6-bromo-2-chloroquinoline;3-[2-(6-bromoquinolin-2-yl)oxyethyl]-1,3-oxazolidin-2-one
SMILESClc1ccc2cc(Br)ccc2n1.O=C1OCCN1CCOc1ccc2cc(Br)ccc2n1
InChIInChI=1S/C14H13BrN2O3.C9H5BrClN/c15-11-2-3-12-10(9-11)1-4-13(16-12)19-7-5-17-6-8-20-14(17)18;10-7-2-3-8-6(5-7)1-4-9(11)12-8/h1-4,9H,5-8H2;1-5H
InChIKeyMYCPSVONWQNSDU-UHFFFAOYSA-N
MW579.68 g/mol
LogP6.48
Rot. Bonds4

About 6-bromo-2-chloroquinoline;3-[2-(6-bromoquinolin-2-yl)oxyethyl]-1,3-oxazolidin-2-one

6-bromo-2-chloroquinoline;3-[2-(6-bromoquinolin-2-yl)oxyethyl]-1,3-oxazolidin-2-one (PubChem CID 159705144) has the molecular formula C23H18Br2ClN3O3 and a molecular weight of 579.68 g/mol. Its IUPAC name is 6-bromo-2-chloroquinoline;3-[2-(6-bromoquinolin-2-yl)oxyethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name6-bromo-2-chloroquinoline;3-[2-(6-bromoquinolin-2-yl)oxyethyl]-1,3-oxazolidin-2-one
PubChem CID159705144
Molecular FormulaC23H18Br2ClN3O3
Molecular Weight579.68 g/mol
Exact Mass576.94
IUPAC Name6-bromo-2-chloroquinoline;3-[2-(6-bromoquinolin-2-yl)oxyethyl]-1,3-oxazolidin-2-one
SMILESClc1ccc2cc(Br)ccc2n1.O=C1OCCN1CCOc1ccc2cc(Br)ccc2n1
InChIInChI=1S/C14H13BrN2O3.C9H5BrClN/c15-11-2-3-12-10(9-11)1-4-13(16-12)19-7-5-17-6-8-20-14(17)18;10-7-2-3-8-6(5-7)1-4-9(11)12-8/h1-4,9H,5-8H2;1-5H
InChIKeyMYCPSVONWQNSDU-UHFFFAOYSA-N
XLogP6.48
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.68
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 6-bromo-2-chloroquinoline;3-[2-(6-bromoquinolin-2-yl)oxyethyl]-1,3-oxazolidin-2-one?
The IUPAC name of 6-bromo-2-chloroquinoline;3-[2-(6-bromoquinolin-2-yl)oxyethyl]-1,3-oxazolidin-2-one (CID 159705144) is 6-bromo-2-chloroquinoline;3-[2-(6-bromoquinolin-2-yl)oxyethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 6-bromo-2-chloroquinoline;3-[2-(6-bromoquinolin-2-yl)oxyethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 6-bromo-2-chloroquinoline;3-[2-(6-bromoquinolin-2-yl)oxyethyl]-1,3-oxazolidin-2-one is Clc1ccc2cc(Br)ccc2n1.O=C1OCCN1CCOc1ccc2cc(Br)ccc2n1.
What is the InChIKey of 6-bromo-2-chloroquinoline;3-[2-(6-bromoquinolin-2-yl)oxyethyl]-1,3-oxazolidin-2-one?
The InChIKey is MYCPSVONWQNSDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O3.C9H5BrClN/c15-11-2-3-12-10(9-11)1-4-13(16-12)19-7-5-17-6-8-20-14(17)18;10-7-2-3-8-6(5-7)1-4-9(11)12-8/h1-4,9H,5-8H2;1-5H.
What are the key properties of 6-bromo-2-chloroquinoline;3-[2-(6-bromoquinolin-2-yl)oxyethyl]-1,3-oxazolidin-2-one?
6-bromo-2-chloroquinoline;3-[2-(6-bromoquinolin-2-yl)oxyethyl]-1,3-oxazolidin-2-one has a molecular weight of 579.68 g/mol, XLogP of 6.48, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-chloroquinoline;3-[2-(6-bromoquinolin-2-yl)oxyethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 159705144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).