4-acetyl-5-chloro-1,3-dihydroquinoxalin-2-one

C10H9ClN2O2 — CID 124908890

IUPAC4-acetyl-5-chloro-1,3-dihydroquinoxalin-2-one
SMILESCC(=O)N1CC(=O)Nc2cccc(Cl)c21
InChIInChI=1S/C10H9ClN2O2/c1-6(14)13-5-9(15)12-8-4-2-3-7(11)10(8)13/h2-4H,5H2,1H3,(H,12,15)
InChIKeyVNURFJSSXHMKFM-UHFFFAOYSA-N
MW224.65 g/mol
LogP1.64
Rot. Bonds

About 4-acetyl-5-chloro-1,3-dihydroquinoxalin-2-one

4-acetyl-5-chloro-1,3-dihydroquinoxalin-2-one (PubChem CID 124908890) has the molecular formula C10H9ClN2O2 and a molecular weight of 224.65 g/mol. Its IUPAC name is 4-acetyl-5-chloro-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-acetyl-5-chloro-1,3-dihydroquinoxalin-2-one
PubChem CID124908890
Molecular FormulaC10H9ClN2O2
Molecular Weight224.65 g/mol
Exact Mass224.04
IUPAC Name4-acetyl-5-chloro-1,3-dihydroquinoxalin-2-one
SMILESCC(=O)N1CC(=O)Nc2cccc(Cl)c21
InChIInChI=1S/C10H9ClN2O2/c1-6(14)13-5-9(15)12-8-4-2-3-7(11)10(8)13/h2-4H,5H2,1H3,(H,12,15)
InChIKeyVNURFJSSXHMKFM-UHFFFAOYSA-N
XLogP1.64
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.65
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-acetyl-3-[(2,6-dichlorophenyl)methylidene]piperazine-2,5-dione
CID 54072145
(3E)-1-acetyl-3-[(2,6-dichlorophenyl)methylidene]piperazine-2,5-dione
CID 67627241
4-[(2S)-2-(2,6-dichlorophenyl)sulfanylpropanoyl]-1,3-dihydroquinoxalin-2-one
CID 8621573
4-[(2R)-2-(2,6-dichlorophenyl)sulfanylpropanoyl]-1,3-dihydroquinoxalin-2-one
CID 8621578
2-(6-chloro-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)acetic acid
CID 84635462
4-ethanimidoyl-1,3-dihydroquinoxalin-2-one
CID 63172914
4-(1-acetylpiperidine-4-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 110667506
4-tert-butyl-5-methyl-1,3-dihydroquinoxalin-2-one
CID 115554274
4-(3-chloro-4-methylbenzoyl)-1,3-dihydroquinoxalin-2-one
CID 63195251
4-(2-methylpropyl)-2-oxo-1,3-dihydroquinoxaline-5-carboxylic acid
CID 112577478
4-(carboxymethyl)-2-oxo-1,3-dihydroquinoxaline-5-carboxylic acid
CID 112577479
4-[(1S)-2,2-dichloro-1-methylcyclopropanecarbonyl]-1,3-dihydroquinoxalin-2-one
CID 30094711

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-5-chloro-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-acetyl-5-chloro-1,3-dihydroquinoxalin-2-one (CID 124908890) is 4-acetyl-5-chloro-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-acetyl-5-chloro-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-acetyl-5-chloro-1,3-dihydroquinoxalin-2-one is CC(=O)N1CC(=O)Nc2cccc(Cl)c21.
What is the InChIKey of 4-acetyl-5-chloro-1,3-dihydroquinoxalin-2-one?
The InChIKey is VNURFJSSXHMKFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O2/c1-6(14)13-5-9(15)12-8-4-2-3-7(11)10(8)13/h2-4H,5H2,1H3,(H,12,15).
What are the key properties of 4-acetyl-5-chloro-1,3-dihydroquinoxalin-2-one?
4-acetyl-5-chloro-1,3-dihydroquinoxalin-2-one has a molecular weight of 224.65 g/mol, XLogP of 1.64, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-5-chloro-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 124908890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).