sodium 5-chloro-[1,3]oxazolo[4,5-h]quinoline-2-carboxylate

C11H4ClN2NaO3 — CID 23713659

IUPACsodium 5-chloro-[1,3]oxazolo[4,5-h]quinoline-2-carboxylate
SMILESO=C([O-])c1nc2cc(Cl)c3cccnc3c2o1.[Na+]
InChIInChI=1S/C11H5ClN2O3.Na/c12-6-4-7-9(17-10(14-7)11(15)16)8-5(6)2-1-3-13-8;/h1-4H,(H,15,16);/q;+1/p-1
InChIKeyDEWQSIGHENRQCJ-UHFFFAOYSA-M
MW270.61 g/mol
LogP-1.60
Rot. Bonds1

About sodium 5-chloro-[1,3]oxazolo[4,5-h]quinoline-2-carboxylate

sodium 5-chloro-[1,3]oxazolo[4,5-h]quinoline-2-carboxylate (PubChem CID 23713659) has the molecular formula C11H4ClN2NaO3 and a molecular weight of 270.61 g/mol. Its IUPAC name is sodium 5-chloro-[1,3]oxazolo[4,5-h]quinoline-2-carboxylate.

Molecular Properties

Compound Namesodium 5-chloro-[1,3]oxazolo[4,5-h]quinoline-2-carboxylate
PubChem CID23713659
Molecular FormulaC11H4ClN2NaO3
Molecular Weight270.61 g/mol
Exact Mass269.98
IUPAC Namesodium 5-chloro-[1,3]oxazolo[4,5-h]quinoline-2-carboxylate
SMILESO=C([O-])c1nc2cc(Cl)c3cccnc3c2o1.[Na+]
InChIInChI=1S/C11H5ClN2O3.Na/c12-6-4-7-9(17-10(14-7)11(15)16)8-5(6)2-1-3-13-8;/h1-4H,(H,15,16);/q;+1/p-1
InChIKeyDEWQSIGHENRQCJ-UHFFFAOYSA-M
XLogP-1.60
TPSA79.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.61
LogP ≤ 5-1.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze sodium 5-chloro-[1,3]oxazolo[4,5-h]quinoline-2-carboxylate 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 sodium 5-chloro-[1,3]oxazolo[4,5-h]quinoline-2-carboxylate?
The IUPAC name of sodium 5-chloro-[1,3]oxazolo[4,5-h]quinoline-2-carboxylate (CID 23713659) is sodium 5-chloro-[1,3]oxazolo[4,5-h]quinoline-2-carboxylate.
What is the SMILES notation for sodium 5-chloro-[1,3]oxazolo[4,5-h]quinoline-2-carboxylate?
The canonical SMILES for sodium 5-chloro-[1,3]oxazolo[4,5-h]quinoline-2-carboxylate is O=C([O-])c1nc2cc(Cl)c3cccnc3c2o1.[Na+].
What is the InChIKey of sodium 5-chloro-[1,3]oxazolo[4,5-h]quinoline-2-carboxylate?
The InChIKey is DEWQSIGHENRQCJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H5ClN2O3.Na/c12-6-4-7-9(17-10(14-7)11(15)16)8-5(6)2-1-3-13-8;/h1-4H,(H,15,16);/q;+1/p-1.
What are the key properties of sodium 5-chloro-[1,3]oxazolo[4,5-h]quinoline-2-carboxylate?
sodium 5-chloro-[1,3]oxazolo[4,5-h]quinoline-2-carboxylate has a molecular weight of 270.61 g/mol, XLogP of -1.60, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 5-chloro-[1,3]oxazolo[4,5-h]quinoline-2-carboxylate is sourced from PubChem (CID 23713659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).