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

C13H9ClN2O3 — CID 13472872

IUPACethyl 5-chloro-[1,3]oxazolo[4,5-h]quinoline-2-carboxylate
SMILESCCOC(=O)c1nc2cc(Cl)c3cccnc3c2o1
InChIInChI=1S/C13H9ClN2O3/c1-2-18-13(17)12-16-9-6-8(14)7-4-3-5-15-10(7)11(9)19-12/h3-6H,2H2,1H3
InChIKeyHEEGWATWPPIDTN-UHFFFAOYSA-N
MW276.68 g/mol
LogP3.21
Rot. Bonds2

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

ethyl 5-chloro-[1,3]oxazolo[4,5-h]quinoline-2-carboxylate (PubChem CID 13472872) has the molecular formula C13H9ClN2O3 and a molecular weight of 276.68 g/mol. Its IUPAC name is ethyl 5-chloro-[1,3]oxazolo[4,5-h]quinoline-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-chloro-[1,3]oxazolo[4,5-h]quinoline-2-carboxylate
PubChem CID13472872
Molecular FormulaC13H9ClN2O3
Molecular Weight276.68 g/mol
Exact Mass276.03
IUPAC Nameethyl 5-chloro-[1,3]oxazolo[4,5-h]quinoline-2-carboxylate
SMILESCCOC(=O)c1nc2cc(Cl)c3cccnc3c2o1
InChIInChI=1S/C13H9ClN2O3/c1-2-18-13(17)12-16-9-6-8(14)7-4-3-5-15-10(7)11(9)19-12/h3-6H,2H2,1H3
InChIKeyHEEGWATWPPIDTN-UHFFFAOYSA-N
XLogP3.21
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.68
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-chloro-[1,3]oxazolo[4,5-h]quinoline-2-carboxylate?
The IUPAC name of ethyl 5-chloro-[1,3]oxazolo[4,5-h]quinoline-2-carboxylate (CID 13472872) is ethyl 5-chloro-[1,3]oxazolo[4,5-h]quinoline-2-carboxylate.
What is the SMILES notation for ethyl 5-chloro-[1,3]oxazolo[4,5-h]quinoline-2-carboxylate?
The canonical SMILES for ethyl 5-chloro-[1,3]oxazolo[4,5-h]quinoline-2-carboxylate is CCOC(=O)c1nc2cc(Cl)c3cccnc3c2o1.
What is the InChIKey of ethyl 5-chloro-[1,3]oxazolo[4,5-h]quinoline-2-carboxylate?
The InChIKey is HEEGWATWPPIDTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2O3/c1-2-18-13(17)12-16-9-6-8(14)7-4-3-5-15-10(7)11(9)19-12/h3-6H,2H2,1H3.
What are the key properties of ethyl 5-chloro-[1,3]oxazolo[4,5-h]quinoline-2-carboxylate?
ethyl 5-chloro-[1,3]oxazolo[4,5-h]quinoline-2-carboxylate has a molecular weight of 276.68 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-chloro-[1,3]oxazolo[4,5-h]quinoline-2-carboxylate is sourced from PubChem (CID 13472872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).