ethyl 5-[(7-chloroquinolin-4-yl)oxymethyl]-1,2-oxazole-3-carboxylate

C16H13ClN2O4 — CID 44572514

IUPACethyl 5-[(7-chloroquinolin-4-yl)oxymethyl]-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1cc(COc2ccnc3cc(Cl)ccc23)on1
InChIInChI=1S/C16H13ClN2O4/c1-2-21-16(20)14-8-11(23-19-14)9-22-15-5-6-18-13-7-10(17)3-4-12(13)15/h3-8H,2,9H2,1H3
InChIKeyQQPWPXXTUDLSGO-UHFFFAOYSA-N
MW332.74 g/mol
LogP3.63
Rot. Bonds5

About ethyl 5-[(7-chloroquinolin-4-yl)oxymethyl]-1,2-oxazole-3-carboxylate

ethyl 5-[(7-chloroquinolin-4-yl)oxymethyl]-1,2-oxazole-3-carboxylate (PubChem CID 44572514) has the molecular formula C16H13ClN2O4 and a molecular weight of 332.74 g/mol. Its IUPAC name is ethyl 5-[(7-chloroquinolin-4-yl)oxymethyl]-1,2-oxazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(7-chloroquinolin-4-yl)oxymethyl]-1,2-oxazole-3-carboxylate
PubChem CID44572514
Molecular FormulaC16H13ClN2O4
Molecular Weight332.74 g/mol
Exact Mass332.06
IUPAC Nameethyl 5-[(7-chloroquinolin-4-yl)oxymethyl]-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1cc(COc2ccnc3cc(Cl)ccc23)on1
InChIInChI=1S/C16H13ClN2O4/c1-2-21-16(20)14-8-11(23-19-14)9-22-15-5-6-18-13-7-10(17)3-4-12(13)15/h3-8H,2,9H2,1H3
InChIKeyQQPWPXXTUDLSGO-UHFFFAOYSA-N
XLogP3.63
TPSA74.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.74
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(7-chloroquinolin-4-yl)oxymethyl]-1,2-oxazole-3-carboxylate?
The IUPAC name of ethyl 5-[(7-chloroquinolin-4-yl)oxymethyl]-1,2-oxazole-3-carboxylate (CID 44572514) is ethyl 5-[(7-chloroquinolin-4-yl)oxymethyl]-1,2-oxazole-3-carboxylate.
What is the SMILES notation for ethyl 5-[(7-chloroquinolin-4-yl)oxymethyl]-1,2-oxazole-3-carboxylate?
The canonical SMILES for ethyl 5-[(7-chloroquinolin-4-yl)oxymethyl]-1,2-oxazole-3-carboxylate is CCOC(=O)c1cc(COc2ccnc3cc(Cl)ccc23)on1.
What is the InChIKey of ethyl 5-[(7-chloroquinolin-4-yl)oxymethyl]-1,2-oxazole-3-carboxylate?
The InChIKey is QQPWPXXTUDLSGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O4/c1-2-21-16(20)14-8-11(23-19-14)9-22-15-5-6-18-13-7-10(17)3-4-12(13)15/h3-8H,2,9H2,1H3.
What are the key properties of ethyl 5-[(7-chloroquinolin-4-yl)oxymethyl]-1,2-oxazole-3-carboxylate?
ethyl 5-[(7-chloroquinolin-4-yl)oxymethyl]-1,2-oxazole-3-carboxylate has a molecular weight of 332.74 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(7-chloroquinolin-4-yl)oxymethyl]-1,2-oxazole-3-carboxylate is sourced from PubChem (CID 44572514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).