5-chloro-1-ethyl-3,3-dimethyl-4H-quinoxalin-2-one

C12H15ClN2O — CID 115094893

IUPAC5-chloro-1-ethyl-3,3-dimethyl-4H-quinoxalin-2-one
SMILESCCN1C(=O)C(C)(C)Nc2c(Cl)cccc21
InChIInChI=1S/C12H15ClN2O/c1-4-15-9-7-5-6-8(13)10(9)14-12(2,3)11(15)16/h5-7,14H,4H2,1-3H3
InChIKeyRVIWSDLOJOKMEN-UHFFFAOYSA-N
MW238.72 g/mol
LogP2.90
Rot. Bonds1

About 5-chloro-1-ethyl-3,3-dimethyl-4H-quinoxalin-2-one

5-chloro-1-ethyl-3,3-dimethyl-4H-quinoxalin-2-one (PubChem CID 115094893) has the molecular formula C12H15ClN2O and a molecular weight of 238.72 g/mol. Its IUPAC name is 5-chloro-1-ethyl-3,3-dimethyl-4H-quinoxalin-2-one.

Molecular Properties

Compound Name5-chloro-1-ethyl-3,3-dimethyl-4H-quinoxalin-2-one
PubChem CID115094893
Molecular FormulaC12H15ClN2O
Molecular Weight238.72 g/mol
Exact Mass238.09
IUPAC Name5-chloro-1-ethyl-3,3-dimethyl-4H-quinoxalin-2-one
SMILESCCN1C(=O)C(C)(C)Nc2c(Cl)cccc21
InChIInChI=1S/C12H15ClN2O/c1-4-15-9-7-5-6-8(13)10(9)14-12(2,3)11(15)16/h5-7,14H,4H2,1-3H3
InChIKeyRVIWSDLOJOKMEN-UHFFFAOYSA-N
XLogP2.90
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
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

3,3-dimethyl-1-prop-2-ynyl-4H-quinoxalin-2-one
CID 71692507
1-ethyl-8-fluoro-3,3-dimethyl-4H-quinoxalin-2-one
CID 115095078
6-chloro-1-ethyl-3-methyl-3,5-dihydro-2H-1,5-benzodiazepin-4-one
CID 104839614
1-ethyl-6-fluoro-3,3-dimethyl-4H-quinoxalin-2-one
CID 115095324
1-ethyl-6,7-difluoro-3,3-dimethyl-4H-quinoxalin-2-one
CID 82157548
6-(aminomethyl)-1-ethyl-3,3-dimethyl-4H-quinoxalin-2-one
CID 115096362
2-(3,3-dimethyl-2-oxo-4H-quinoxalin-1-yl)acetic acid
CID 82157084
6,7-dichloro-3,3-dimethyl-1-propyl-4H-quinoxalin-2-one
CID 82157682
3-[(3-chlorophenyl)methyl]-5,5-dimethylimidazolidine-2,4-dione
CID 30551380
3-[(6-chloro-2-pyridinyl)methyl]-5,5-dimethylimidazolidine-2,4-dione
CID 79240493
1-(2-chlorophenyl)-3,3,5,5-tetramethylpiperazin-2-one
CID 117023841
1-(2-chloro-3-methylphenyl)-3,3-dimethylpiperazine-2,5-dione
CID 114251655

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-ethyl-3,3-dimethyl-4H-quinoxalin-2-one?
The IUPAC name of 5-chloro-1-ethyl-3,3-dimethyl-4H-quinoxalin-2-one (CID 115094893) is 5-chloro-1-ethyl-3,3-dimethyl-4H-quinoxalin-2-one.
What is the SMILES notation for 5-chloro-1-ethyl-3,3-dimethyl-4H-quinoxalin-2-one?
The canonical SMILES for 5-chloro-1-ethyl-3,3-dimethyl-4H-quinoxalin-2-one is CCN1C(=O)C(C)(C)Nc2c(Cl)cccc21.
What is the InChIKey of 5-chloro-1-ethyl-3,3-dimethyl-4H-quinoxalin-2-one?
The InChIKey is RVIWSDLOJOKMEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O/c1-4-15-9-7-5-6-8(13)10(9)14-12(2,3)11(15)16/h5-7,14H,4H2,1-3H3.
What are the key properties of 5-chloro-1-ethyl-3,3-dimethyl-4H-quinoxalin-2-one?
5-chloro-1-ethyl-3,3-dimethyl-4H-quinoxalin-2-one has a molecular weight of 238.72 g/mol, XLogP of 2.90, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-ethyl-3,3-dimethyl-4H-quinoxalin-2-one is sourced from PubChem (CID 115094893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).