7-(2,2-difluoroethoxy)-3-ethyl-2-oxo-1H-quinoline-6-carbonitrile

C14H12F2N2O2 — CID 154974687

IUPAC7-(2,2-difluoroethoxy)-3-ethyl-2-oxo-1H-quinoline-6-carbonitrile
SMILESCCc1cc2cc(C#N)c(OCC(F)F)cc2[nH]c1=O
InChIInChI=1S/C14H12F2N2O2/c1-2-8-3-9-4-10(6-17)12(20-7-13(15)16)5-11(9)18-14(8)19/h3-5,13H,2,7H2,1H3,(H,18,19)
InChIKeyPIYXBRILJIPAED-UHFFFAOYSA-N
MW278.26 g/mol
LogP2.61
Rot. Bonds4

About 7-(2,2-difluoroethoxy)-3-ethyl-2-oxo-1H-quinoline-6-carbonitrile

7-(2,2-difluoroethoxy)-3-ethyl-2-oxo-1H-quinoline-6-carbonitrile (PubChem CID 154974687) has the molecular formula C14H12F2N2O2 and a molecular weight of 278.26 g/mol. Its IUPAC name is 7-(2,2-difluoroethoxy)-3-ethyl-2-oxo-1H-quinoline-6-carbonitrile.

Molecular Properties

Compound Name7-(2,2-difluoroethoxy)-3-ethyl-2-oxo-1H-quinoline-6-carbonitrile
PubChem CID154974687
Molecular FormulaC14H12F2N2O2
Molecular Weight278.26 g/mol
Exact Mass278.09
IUPAC Name7-(2,2-difluoroethoxy)-3-ethyl-2-oxo-1H-quinoline-6-carbonitrile
SMILESCCc1cc2cc(C#N)c(OCC(F)F)cc2[nH]c1=O
InChIInChI=1S/C14H12F2N2O2/c1-2-8-3-9-4-10(6-17)12(20-7-13(15)16)5-11(9)18-14(8)19/h3-5,13H,2,7H2,1H3,(H,18,19)
InChIKeyPIYXBRILJIPAED-UHFFFAOYSA-N
XLogP2.61
TPSA65.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.26
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(2,2-difluoroethoxy)-3-ethyl-2-oxo-1H-quinoline-6-carbonitrile?
The IUPAC name of 7-(2,2-difluoroethoxy)-3-ethyl-2-oxo-1H-quinoline-6-carbonitrile (CID 154974687) is 7-(2,2-difluoroethoxy)-3-ethyl-2-oxo-1H-quinoline-6-carbonitrile.
What is the SMILES notation for 7-(2,2-difluoroethoxy)-3-ethyl-2-oxo-1H-quinoline-6-carbonitrile?
The canonical SMILES for 7-(2,2-difluoroethoxy)-3-ethyl-2-oxo-1H-quinoline-6-carbonitrile is CCc1cc2cc(C#N)c(OCC(F)F)cc2[nH]c1=O.
What is the InChIKey of 7-(2,2-difluoroethoxy)-3-ethyl-2-oxo-1H-quinoline-6-carbonitrile?
The InChIKey is PIYXBRILJIPAED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N2O2/c1-2-8-3-9-4-10(6-17)12(20-7-13(15)16)5-11(9)18-14(8)19/h3-5,13H,2,7H2,1H3,(H,18,19).
What are the key properties of 7-(2,2-difluoroethoxy)-3-ethyl-2-oxo-1H-quinoline-6-carbonitrile?
7-(2,2-difluoroethoxy)-3-ethyl-2-oxo-1H-quinoline-6-carbonitrile has a molecular weight of 278.26 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,2-difluoroethoxy)-3-ethyl-2-oxo-1H-quinoline-6-carbonitrile is sourced from PubChem (CID 154974687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).