(3R)-4-(2,6-difluorobenzoyl)-3-methyl-1,3-dihydroquinoxalin-2-one

C16H12F2N2O2 — CID 1474244

IUPAC(3R)-4-(2,6-difluorobenzoyl)-3-methyl-1,3-dihydroquinoxalin-2-one
SMILESC[C@@H]1C(=O)Nc2ccccc2N1C(=O)c1c(F)cccc1F
InChIInChI=1S/C16H12F2N2O2/c1-9-15(21)19-12-7-2-3-8-13(12)20(9)16(22)14-10(17)5-4-6-11(14)18/h2-9H,1H3,(H,19,21)/t9-/m1/s1
InChIKeyRPJOHIMQXVEAAD-SECBINFHSA-N
MW302.28 g/mol
LogP2.95
Rot. Bonds1

About (3R)-4-(2,6-difluorobenzoyl)-3-methyl-1,3-dihydroquinoxalin-2-one

(3R)-4-(2,6-difluorobenzoyl)-3-methyl-1,3-dihydroquinoxalin-2-one (PubChem CID 1474244) has the molecular formula C16H12F2N2O2 and a molecular weight of 302.28 g/mol. Its IUPAC name is (3R)-4-(2,6-difluorobenzoyl)-3-methyl-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name(3R)-4-(2,6-difluorobenzoyl)-3-methyl-1,3-dihydroquinoxalin-2-one
PubChem CID1474244
Molecular FormulaC16H12F2N2O2
Molecular Weight302.28 g/mol
Exact Mass302.09
IUPAC Name(3R)-4-(2,6-difluorobenzoyl)-3-methyl-1,3-dihydroquinoxalin-2-one
SMILESC[C@@H]1C(=O)Nc2ccccc2N1C(=O)c1c(F)cccc1F
InChIInChI=1S/C16H12F2N2O2/c1-9-15(21)19-12-7-2-3-8-13(12)20(9)16(22)14-10(17)5-4-6-11(14)18/h2-9H,1H3,(H,19,21)/t9-/m1/s1
InChIKeyRPJOHIMQXVEAAD-SECBINFHSA-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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Related Compounds

(3R)-4-(2,6-difluorobenzoyl)-1-[(4-fluorophenyl)methyl]-3-methyl-3H-quinoxalin-2-one
CID 1474240
[4-[(2R)-2-methyl-3-oxo-2,4-dihydroquinoxaline-1-carbonyl]phenyl] acetate
CID 7100438
(3S)-4-(3-chloropropanoyl)-3-methyl-1,3-dihydroquinoxalin-2-one
CID 155924384
5-(2-fluorobenzoyl)-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 44615674
[(3S)-4-(2,6-difluorobenzoyl)-3-methyl-2,3-dihydroquinoxalin-1-yl]-(2,6-difluorophenyl)methanone
CID 95785410
3-methyl-4-(4-methyl-2-propyl-1,3-thiazole-5-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 71867240
(3R)-4-[(3S)-1,1-dioxothiolane-3-carbonyl]-3-methyl-1,3-dihydroquinoxalin-2-one
CID 100631512
(4R)-5-(2,4-difluorobenzoyl)-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 6931585
(3R)-4-[2-(furan-2-yl)quinoline-4-carbonyl]-3-methyl-1,3-dihydroquinoxalin-2-one
CID 96521461
(4R)-4-methyl-5-[2-(methylamino)acetyl]-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 9391866
(4S)-N,4-dimethyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepine-5-carboxamide
CID 6934559
5-[2-(4-fluorophenyl)sulfanylacetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 46805072

Frequently Asked Questions

What is the IUPAC name of (3R)-4-(2,6-difluorobenzoyl)-3-methyl-1,3-dihydroquinoxalin-2-one?
The IUPAC name of (3R)-4-(2,6-difluorobenzoyl)-3-methyl-1,3-dihydroquinoxalin-2-one (CID 1474244) is (3R)-4-(2,6-difluorobenzoyl)-3-methyl-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for (3R)-4-(2,6-difluorobenzoyl)-3-methyl-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for (3R)-4-(2,6-difluorobenzoyl)-3-methyl-1,3-dihydroquinoxalin-2-one is C[C@@H]1C(=O)Nc2ccccc2N1C(=O)c1c(F)cccc1F.
What is the InChIKey of (3R)-4-(2,6-difluorobenzoyl)-3-methyl-1,3-dihydroquinoxalin-2-one?
The InChIKey is RPJOHIMQXVEAAD-SECBINFHSA-N. The full InChI is InChI=1S/C16H12F2N2O2/c1-9-15(21)19-12-7-2-3-8-13(12)20(9)16(22)14-10(17)5-4-6-11(14)18/h2-9H,1H3,(H,19,21)/t9-/m1/s1.
What are the key properties of (3R)-4-(2,6-difluorobenzoyl)-3-methyl-1,3-dihydroquinoxalin-2-one?
(3R)-4-(2,6-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 (3R)-4-(2,6-difluorobenzoyl)-3-methyl-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 1474244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).