ethyl 6,7-difluoro-1-(1,2-oxazol-5-yl)-4-oxoquinoline-3-carboxylate

C15H10F2N2O4 — CID 22369323

IUPACethyl 6,7-difluoro-1-(1,2-oxazol-5-yl)-4-oxoquinoline-3-carboxylate
SMILESCCOC(=O)c1cn(-c2ccno2)c2cc(F)c(F)cc2c1=O
InChIInChI=1S/C15H10F2N2O4/c1-2-22-15(21)9-7-19(13-3-4-18-23-13)12-6-11(17)10(16)5-8(12)14(9)20/h3-7H,2H2,1H3
InChIKeyPMYIEZDVKIMBNT-UHFFFAOYSA-N
MW320.25 g/mol
LogP2.43
Rot. Bonds3

About ethyl 6,7-difluoro-1-(1,2-oxazol-5-yl)-4-oxoquinoline-3-carboxylate

ethyl 6,7-difluoro-1-(1,2-oxazol-5-yl)-4-oxoquinoline-3-carboxylate (PubChem CID 22369323) has the molecular formula C15H10F2N2O4 and a molecular weight of 320.25 g/mol. Its IUPAC name is ethyl 6,7-difluoro-1-(1,2-oxazol-5-yl)-4-oxoquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 6,7-difluoro-1-(1,2-oxazol-5-yl)-4-oxoquinoline-3-carboxylate
PubChem CID22369323
Molecular FormulaC15H10F2N2O4
Molecular Weight320.25 g/mol
Exact Mass320.06
IUPAC Nameethyl 6,7-difluoro-1-(1,2-oxazol-5-yl)-4-oxoquinoline-3-carboxylate
SMILESCCOC(=O)c1cn(-c2ccno2)c2cc(F)c(F)cc2c1=O
InChIInChI=1S/C15H10F2N2O4/c1-2-22-15(21)9-7-19(13-3-4-18-23-13)12-6-11(17)10(16)5-8(12)14(9)20/h3-7H,2H2,1H3
InChIKeyPMYIEZDVKIMBNT-UHFFFAOYSA-N
XLogP2.43
TPSA74.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.25
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 6,7-difluoro-1-(1,2-oxazol-5-yl)-4-oxoquinoline-3-carboxylate?
The IUPAC name of ethyl 6,7-difluoro-1-(1,2-oxazol-5-yl)-4-oxoquinoline-3-carboxylate (CID 22369323) is ethyl 6,7-difluoro-1-(1,2-oxazol-5-yl)-4-oxoquinoline-3-carboxylate.
What is the SMILES notation for ethyl 6,7-difluoro-1-(1,2-oxazol-5-yl)-4-oxoquinoline-3-carboxylate?
The canonical SMILES for ethyl 6,7-difluoro-1-(1,2-oxazol-5-yl)-4-oxoquinoline-3-carboxylate is CCOC(=O)c1cn(-c2ccno2)c2cc(F)c(F)cc2c1=O.
What is the InChIKey of ethyl 6,7-difluoro-1-(1,2-oxazol-5-yl)-4-oxoquinoline-3-carboxylate?
The InChIKey is PMYIEZDVKIMBNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2N2O4/c1-2-22-15(21)9-7-19(13-3-4-18-23-13)12-6-11(17)10(16)5-8(12)14(9)20/h3-7H,2H2,1H3.
What are the key properties of ethyl 6,7-difluoro-1-(1,2-oxazol-5-yl)-4-oxoquinoline-3-carboxylate?
ethyl 6,7-difluoro-1-(1,2-oxazol-5-yl)-4-oxoquinoline-3-carboxylate has a molecular weight of 320.25 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6,7-difluoro-1-(1,2-oxazol-5-yl)-4-oxoquinoline-3-carboxylate is sourced from PubChem (CID 22369323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).