6,7-difluoro-1-(3-hydroxypropyl)-3-methyl-3,4-dihydroquinoxalin-2-one

C12H14F2N2O2 — CID 82157531

IUPAC6,7-difluoro-1-(3-hydroxypropyl)-3-methyl-3,4-dihydroquinoxalin-2-one
SMILESCC1Nc2cc(F)c(F)cc2N(CCCO)C1=O
InChIInChI=1S/C12H14F2N2O2/c1-7-12(18)16(3-2-4-17)11-6-9(14)8(13)5-10(11)15-7/h5-7,15,17H,2-4H2,1H3
InChIKeyVXMGBWBYPUKEGN-UHFFFAOYSA-N
MW256.25 g/mol
LogP1.49
Rot. Bonds3

About 6,7-difluoro-1-(3-hydroxypropyl)-3-methyl-3,4-dihydroquinoxalin-2-one

6,7-difluoro-1-(3-hydroxypropyl)-3-methyl-3,4-dihydroquinoxalin-2-one (PubChem CID 82157531) has the molecular formula C12H14F2N2O2 and a molecular weight of 256.25 g/mol. Its IUPAC name is 6,7-difluoro-1-(3-hydroxypropyl)-3-methyl-3,4-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name6,7-difluoro-1-(3-hydroxypropyl)-3-methyl-3,4-dihydroquinoxalin-2-one
PubChem CID82157531
Molecular FormulaC12H14F2N2O2
Molecular Weight256.25 g/mol
Exact Mass256.10
IUPAC Name6,7-difluoro-1-(3-hydroxypropyl)-3-methyl-3,4-dihydroquinoxalin-2-one
SMILESCC1Nc2cc(F)c(F)cc2N(CCCO)C1=O
InChIInChI=1S/C12H14F2N2O2/c1-7-12(18)16(3-2-4-17)11-6-9(14)8(13)5-10(11)15-7/h5-7,15,17H,2-4H2,1H3
InChIKeyVXMGBWBYPUKEGN-UHFFFAOYSA-N
XLogP1.49
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.25
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,7-difluoro-1-(3-hydroxypropyl)-3-methyl-3,4-dihydroquinoxalin-2-one?
The IUPAC name of 6,7-difluoro-1-(3-hydroxypropyl)-3-methyl-3,4-dihydroquinoxalin-2-one (CID 82157531) is 6,7-difluoro-1-(3-hydroxypropyl)-3-methyl-3,4-dihydroquinoxalin-2-one.
What is the SMILES notation for 6,7-difluoro-1-(3-hydroxypropyl)-3-methyl-3,4-dihydroquinoxalin-2-one?
The canonical SMILES for 6,7-difluoro-1-(3-hydroxypropyl)-3-methyl-3,4-dihydroquinoxalin-2-one is CC1Nc2cc(F)c(F)cc2N(CCCO)C1=O.
What is the InChIKey of 6,7-difluoro-1-(3-hydroxypropyl)-3-methyl-3,4-dihydroquinoxalin-2-one?
The InChIKey is VXMGBWBYPUKEGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2O2/c1-7-12(18)16(3-2-4-17)11-6-9(14)8(13)5-10(11)15-7/h5-7,15,17H,2-4H2,1H3.
What are the key properties of 6,7-difluoro-1-(3-hydroxypropyl)-3-methyl-3,4-dihydroquinoxalin-2-one?
6,7-difluoro-1-(3-hydroxypropyl)-3-methyl-3,4-dihydroquinoxalin-2-one has a molecular weight of 256.25 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-difluoro-1-(3-hydroxypropyl)-3-methyl-3,4-dihydroquinoxalin-2-one is sourced from PubChem (CID 82157531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).