4-butan-2-yl-6-chloro-1,3-dihydroquinoxalin-2-one

C12H15ClN2O — CID 115472139

IUPAC4-butan-2-yl-6-chloro-1,3-dihydroquinoxalin-2-one
SMILESCCC(C)N1CC(=O)Nc2ccc(Cl)cc21
InChIInChI=1S/C12H15ClN2O/c1-3-8(2)15-7-12(16)14-10-5-4-9(13)6-11(10)15/h4-6,8H,3,7H2,1-2H3,(H,14,16)
InChIKeyWSMGOSXSNYOBIL-UHFFFAOYSA-N
MW238.72 g/mol
LogP2.90
Rot. Bonds2

About 4-butan-2-yl-6-chloro-1,3-dihydroquinoxalin-2-one

4-butan-2-yl-6-chloro-1,3-dihydroquinoxalin-2-one (PubChem CID 115472139) has the molecular formula C12H15ClN2O and a molecular weight of 238.72 g/mol. Its IUPAC name is 4-butan-2-yl-6-chloro-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-butan-2-yl-6-chloro-1,3-dihydroquinoxalin-2-one
PubChem CID115472139
Molecular FormulaC12H15ClN2O
Molecular Weight238.72 g/mol
Exact Mass238.09
IUPAC Name4-butan-2-yl-6-chloro-1,3-dihydroquinoxalin-2-one
SMILESCCC(C)N1CC(=O)Nc2ccc(Cl)cc21
InChIInChI=1S/C12H15ClN2O/c1-3-8(2)15-7-12(16)14-10-5-4-9(13)6-11(10)15/h4-6,8H,3,7H2,1-2H3,(H,14,16)
InChIKeyWSMGOSXSNYOBIL-UHFFFAOYSA-N
XLogP2.90
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.72
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-butan-2-yl-6-chloro-2,3-dihydro-1H-quinoxaline
CID 115472217
1-butan-2-ylimidazolidine-2,4-dione
CID 22605175
4-butan-2-yl-8-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one
CID 79293757
4-(1-aminopentan-3-yl)-1,3-dihydroquinoxalin-2-one
CID 43174942
6-chloro-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclohexane]-2-one
CID 115098186
9-chloro-1-methyl-5,7-dihydropyrazolo[1,2-a][1,2,5]benzotriazepine-3,6-dione
CID 155809683
4-(2,5-dichlorophenyl)piperazine-2,6-dione
CID 63787851
6-fluoro-7-iodo-4-propan-2-yl-1,3-dihydroquinoxalin-2-one
CID 79290995
2-(6-chloro-3-oxo-2,4-dihydroquinoxalin-1-yl)acetaldehyde
CID 83849997
4-(2-amino-5-chlorophenyl)piperazine-2,6-dione
CID 115469095
1-butan-2-ylaziridin-2-one
CID 23556405
4-(2-amino-4-chlorophenyl)-1,3-dihydroquinoxalin-2-one
CID 28822158

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yl-6-chloro-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-butan-2-yl-6-chloro-1,3-dihydroquinoxalin-2-one (CID 115472139) is 4-butan-2-yl-6-chloro-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-butan-2-yl-6-chloro-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-butan-2-yl-6-chloro-1,3-dihydroquinoxalin-2-one is CCC(C)N1CC(=O)Nc2ccc(Cl)cc21.
What is the InChIKey of 4-butan-2-yl-6-chloro-1,3-dihydroquinoxalin-2-one?
The InChIKey is WSMGOSXSNYOBIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O/c1-3-8(2)15-7-12(16)14-10-5-4-9(13)6-11(10)15/h4-6,8H,3,7H2,1-2H3,(H,14,16).
What are the key properties of 4-butan-2-yl-6-chloro-1,3-dihydroquinoxalin-2-one?
4-butan-2-yl-6-chloro-1,3-dihydroquinoxalin-2-one has a molecular weight of 238.72 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yl-6-chloro-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 115472139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).