8-chloro-1-ethyl-6-methyl-3,4-dihydroquinoxalin-2-one

C11H13ClN2O — CID 84624735

IUPAC8-chloro-1-ethyl-6-methyl-3,4-dihydroquinoxalin-2-one
SMILESCCN1C(=O)CNc2cc(C)cc(Cl)c21
InChIInChI=1S/C11H13ClN2O/c1-3-14-10(15)6-13-9-5-7(2)4-8(12)11(9)14/h4-5,13H,3,6H2,1-2H3
InChIKeyOQHXOEGKPAUTEH-UHFFFAOYSA-N
MW224.69 g/mol
LogP2.43
Rot. Bonds1

About 8-chloro-1-ethyl-6-methyl-3,4-dihydroquinoxalin-2-one

8-chloro-1-ethyl-6-methyl-3,4-dihydroquinoxalin-2-one (PubChem CID 84624735) has the molecular formula C11H13ClN2O and a molecular weight of 224.69 g/mol. Its IUPAC name is 8-chloro-1-ethyl-6-methyl-3,4-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name8-chloro-1-ethyl-6-methyl-3,4-dihydroquinoxalin-2-one
PubChem CID84624735
Molecular FormulaC11H13ClN2O
Molecular Weight224.69 g/mol
Exact Mass224.07
IUPAC Name8-chloro-1-ethyl-6-methyl-3,4-dihydroquinoxalin-2-one
SMILESCCN1C(=O)CNc2cc(C)cc(Cl)c21
InChIInChI=1S/C11H13ClN2O/c1-3-14-10(15)6-13-9-5-7(2)4-8(12)11(9)14/h4-5,13H,3,6H2,1-2H3
InChIKeyOQHXOEGKPAUTEH-UHFFFAOYSA-N
XLogP2.43
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-(aminomethyl)-1-ethyl-3,4-dihydroquinoxalin-2-one
CID 115095930
1-ethyl-8-propan-2-yl-3,4-dihydroquinoxalin-2-one
CID 84623041
1-ethyl-7-(trifluoromethyl)-3,4-dihydroquinoxalin-2-one
CID 84631097
7-chloro-1-propyl-3,4-dihydroquinoxalin-2-one
CID 84624682
7-chloro-8-methyl-1-propan-2-yl-3,4-dihydroquinoxalin-2-one
CID 84629266
6-methyl-1-propan-2-yl-3,4-dihydroquinoxalin-2-one
CID 83509588
5-bromo-1-ethyl-3,4-dihydroquinoxalin-2-one
CID 84635526
1-(2-chloro-4,6-dimethylphenyl)-1,4-diazocan-2-one
CID 117016188
1-(2,6-dichloro-4-fluorophenyl)-6-ethylpiperazine-2,5-dione
CID 83081530
7-amino-5-chloro-1-ethyl-3H-indol-2-one
CID 118540260
1-[(2,6-dichlorophenyl)methyl]-3,4-dihydroquinoxalin-2-one
CID 62874448
7-tert-butyl-1-propyl-3,4-dihydroquinoxalin-2-one
CID 84632527

Frequently Asked Questions

What is the IUPAC name of 8-chloro-1-ethyl-6-methyl-3,4-dihydroquinoxalin-2-one?
The IUPAC name of 8-chloro-1-ethyl-6-methyl-3,4-dihydroquinoxalin-2-one (CID 84624735) is 8-chloro-1-ethyl-6-methyl-3,4-dihydroquinoxalin-2-one.
What is the SMILES notation for 8-chloro-1-ethyl-6-methyl-3,4-dihydroquinoxalin-2-one?
The canonical SMILES for 8-chloro-1-ethyl-6-methyl-3,4-dihydroquinoxalin-2-one is CCN1C(=O)CNc2cc(C)cc(Cl)c21.
What is the InChIKey of 8-chloro-1-ethyl-6-methyl-3,4-dihydroquinoxalin-2-one?
The InChIKey is OQHXOEGKPAUTEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O/c1-3-14-10(15)6-13-9-5-7(2)4-8(12)11(9)14/h4-5,13H,3,6H2,1-2H3.
What are the key properties of 8-chloro-1-ethyl-6-methyl-3,4-dihydroquinoxalin-2-one?
8-chloro-1-ethyl-6-methyl-3,4-dihydroquinoxalin-2-one has a molecular weight of 224.69 g/mol, XLogP of 2.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-1-ethyl-6-methyl-3,4-dihydroquinoxalin-2-one is sourced from PubChem (CID 84624735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).