4-(2,4-difluorobenzoyl)-3-methyl-1,3-dihydroquinoxalin-2-one

C16H12F2N2O2 — CID 3763336

IUPAC4-(2,4-difluorobenzoyl)-3-methyl-1,3-dihydroquinoxalin-2-one
SMILESCC1C(=O)Nc2ccccc2N1C(=O)c1ccc(F)cc1F
InChIInChI=1S/C16H12F2N2O2/c1-9-15(21)19-13-4-2-3-5-14(13)20(9)16(22)11-7-6-10(17)8-12(11)18/h2-9H,1H3,(H,19,21)
InChIKeyARODBLBARKWDRC-UHFFFAOYSA-N
MW302.28 g/mol
LogP2.95
Rot. Bonds1

About 4-(2,4-difluorobenzoyl)-3-methyl-1,3-dihydroquinoxalin-2-one

4-(2,4-difluorobenzoyl)-3-methyl-1,3-dihydroquinoxalin-2-one (PubChem CID 3763336) has the molecular formula C16H12F2N2O2 and a molecular weight of 302.28 g/mol. Its IUPAC name is 4-(2,4-difluorobenzoyl)-3-methyl-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-(2,4-difluorobenzoyl)-3-methyl-1,3-dihydroquinoxalin-2-one
PubChem CID3763336
Molecular FormulaC16H12F2N2O2
Molecular Weight302.28 g/mol
Exact Mass302.09
IUPAC Name4-(2,4-difluorobenzoyl)-3-methyl-1,3-dihydroquinoxalin-2-one
SMILESCC1C(=O)Nc2ccccc2N1C(=O)c1ccc(F)cc1F
InChIInChI=1S/C16H12F2N2O2/c1-9-15(21)19-13-4-2-3-5-14(13)20(9)16(22)11-7-6-10(17)8-12(11)18/h2-9H,1H3,(H,19,21)
InChIKeyARODBLBARKWDRC-UHFFFAOYSA-N
XLogP2.95
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.28
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorobenzoyl)-3-methyl-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-(2,4-difluorobenzoyl)-3-methyl-1,3-dihydroquinoxalin-2-one (CID 3763336) is 4-(2,4-difluorobenzoyl)-3-methyl-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-(2,4-difluorobenzoyl)-3-methyl-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-(2,4-difluorobenzoyl)-3-methyl-1,3-dihydroquinoxalin-2-one is CC1C(=O)Nc2ccccc2N1C(=O)c1ccc(F)cc1F.
What is the InChIKey of 4-(2,4-difluorobenzoyl)-3-methyl-1,3-dihydroquinoxalin-2-one?
The InChIKey is ARODBLBARKWDRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N2O2/c1-9-15(21)19-13-4-2-3-5-14(13)20(9)16(22)11-7-6-10(17)8-12(11)18/h2-9H,1H3,(H,19,21).
What are the key properties of 4-(2,4-difluorobenzoyl)-3-methyl-1,3-dihydroquinoxalin-2-one?
4-(2,4-difluorobenzoyl)-3-methyl-1,3-dihydroquinoxalin-2-one has a molecular weight of 302.28 g/mol, XLogP of 2.95, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorobenzoyl)-3-methyl-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 3763336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).