3-(1,1-difluoropentyl)-7-methoxy-1H-quinoxalin-2-one

C14H16F2N2O2 — CID 90058170

IUPAC3-(1,1-difluoropentyl)-7-methoxy-1H-quinoxalin-2-one
SMILESCCCCC(F)(F)c1nc2ccc(OC)cc2[nH]c1=O
InChIInChI=1S/C14H16F2N2O2/c1-3-4-7-14(15,16)12-13(19)18-11-8-9(20-2)5-6-10(11)17-12/h5-6,8H,3-4,7H2,1-2H3,(H,18,19)
InChIKeyOSLPASUXTPSQOY-UHFFFAOYSA-N
MW282.29 g/mol
LogP3.21
Rot. Bonds5

About 3-(1,1-difluoropentyl)-7-methoxy-1H-quinoxalin-2-one

3-(1,1-difluoropentyl)-7-methoxy-1H-quinoxalin-2-one (PubChem CID 90058170) has the molecular formula C14H16F2N2O2 and a molecular weight of 282.29 g/mol. Its IUPAC name is 3-(1,1-difluoropentyl)-7-methoxy-1H-quinoxalin-2-one.

Molecular Properties

Compound Name3-(1,1-difluoropentyl)-7-methoxy-1H-quinoxalin-2-one
PubChem CID90058170
Molecular FormulaC14H16F2N2O2
Molecular Weight282.29 g/mol
Exact Mass282.12
IUPAC Name3-(1,1-difluoropentyl)-7-methoxy-1H-quinoxalin-2-one
SMILESCCCCC(F)(F)c1nc2ccc(OC)cc2[nH]c1=O
InChIInChI=1S/C14H16F2N2O2/c1-3-4-7-14(15,16)12-13(19)18-11-8-9(20-2)5-6-10(11)17-12/h5-6,8H,3-4,7H2,1-2H3,(H,18,19)
InChIKeyOSLPASUXTPSQOY-UHFFFAOYSA-N
XLogP3.21
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.29
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1,1-difluoropentyl)-7-methoxy-1H-quinoxalin-2-one?
The IUPAC name of 3-(1,1-difluoropentyl)-7-methoxy-1H-quinoxalin-2-one (CID 90058170) is 3-(1,1-difluoropentyl)-7-methoxy-1H-quinoxalin-2-one.
What is the SMILES notation for 3-(1,1-difluoropentyl)-7-methoxy-1H-quinoxalin-2-one?
The canonical SMILES for 3-(1,1-difluoropentyl)-7-methoxy-1H-quinoxalin-2-one is CCCCC(F)(F)c1nc2ccc(OC)cc2[nH]c1=O.
What is the InChIKey of 3-(1,1-difluoropentyl)-7-methoxy-1H-quinoxalin-2-one?
The InChIKey is OSLPASUXTPSQOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2O2/c1-3-4-7-14(15,16)12-13(19)18-11-8-9(20-2)5-6-10(11)17-12/h5-6,8H,3-4,7H2,1-2H3,(H,18,19).
What are the key properties of 3-(1,1-difluoropentyl)-7-methoxy-1H-quinoxalin-2-one?
3-(1,1-difluoropentyl)-7-methoxy-1H-quinoxalin-2-one has a molecular weight of 282.29 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-difluoropentyl)-7-methoxy-1H-quinoxalin-2-one is sourced from PubChem (CID 90058170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).