6,7-dichloro-3,3-dimethyl-1-propyl-4H-quinoxalin-2-one

C13H16Cl2N2O — CID 82157682

IUPAC6,7-dichloro-3,3-dimethyl-1-propyl-4H-quinoxalin-2-one
SMILESCCCN1C(=O)C(C)(C)Nc2cc(Cl)c(Cl)cc21
InChIInChI=1S/C13H16Cl2N2O/c1-4-5-17-11-7-9(15)8(14)6-10(11)16-13(2,3)12(17)18/h6-7,16H,4-5H2,1-3H3
InChIKeyIODPLPMXTWFDKE-UHFFFAOYSA-N
MW287.19 g/mol
LogP3.94
Rot. Bonds2

About 6,7-dichloro-3,3-dimethyl-1-propyl-4H-quinoxalin-2-one

6,7-dichloro-3,3-dimethyl-1-propyl-4H-quinoxalin-2-one (PubChem CID 82157682) has the molecular formula C13H16Cl2N2O and a molecular weight of 287.19 g/mol. Its IUPAC name is 6,7-dichloro-3,3-dimethyl-1-propyl-4H-quinoxalin-2-one.

Molecular Properties

Compound Name6,7-dichloro-3,3-dimethyl-1-propyl-4H-quinoxalin-2-one
PubChem CID82157682
Molecular FormulaC13H16Cl2N2O
Molecular Weight287.19 g/mol
Exact Mass286.06
IUPAC Name6,7-dichloro-3,3-dimethyl-1-propyl-4H-quinoxalin-2-one
SMILESCCCN1C(=O)C(C)(C)Nc2cc(Cl)c(Cl)cc21
InChIInChI=1S/C13H16Cl2N2O/c1-4-5-17-11-7-9(15)8(14)6-10(11)16-13(2,3)12(17)18/h6-7,16H,4-5H2,1-3H3
InChIKeyIODPLPMXTWFDKE-UHFFFAOYSA-N
XLogP3.94
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.19
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6,7-dichloro-3,3-dimethyl-1-(2-methylpropyl)-4H-quinoxalin-2-one
CID 82157688
6,7-dichloro-3,3-dimethyl-1-propan-2-yl-4H-quinoxalin-2-one
CID 82157685
1-ethyl-6,7-difluoro-3,3-dimethyl-4H-quinoxalin-2-one
CID 82157548
6,7-difluoro-3,3-dimethyl-1-(3-methylbutyl)-4H-quinoxalin-2-one
CID 82157550
1-ethyl-6-fluoro-3,3-dimethyl-4H-quinoxalin-2-one
CID 115095324
6,6-dimethyl-8-(3-methylbutyl)-5H-[1,3]dioxolo[4,5-g]quinoxalin-7-one
CID 82157901
3-(7,7-dimethyl-8-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinoxalin-9-yl)propanoic acid
CID 94765802
6-(aminomethyl)-1-ethyl-3,3-dimethyl-4H-quinoxalin-2-one
CID 115096362
3-ethyl-3,6-dimethyl-1-(2,4,5-trichlorophenyl)piperazine-2,5-dione
CID 64962096
5-chloro-1-ethyl-3,3-dimethyl-4H-quinoxalin-2-one
CID 115094893
3-[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 7266376
5,5-diethyl-3-propylimidazolidine-2,4-dione
CID 78907676

Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-3,3-dimethyl-1-propyl-4H-quinoxalin-2-one?
The IUPAC name of 6,7-dichloro-3,3-dimethyl-1-propyl-4H-quinoxalin-2-one (CID 82157682) is 6,7-dichloro-3,3-dimethyl-1-propyl-4H-quinoxalin-2-one.
What is the SMILES notation for 6,7-dichloro-3,3-dimethyl-1-propyl-4H-quinoxalin-2-one?
The canonical SMILES for 6,7-dichloro-3,3-dimethyl-1-propyl-4H-quinoxalin-2-one is CCCN1C(=O)C(C)(C)Nc2cc(Cl)c(Cl)cc21.
What is the InChIKey of 6,7-dichloro-3,3-dimethyl-1-propyl-4H-quinoxalin-2-one?
The InChIKey is IODPLPMXTWFDKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O/c1-4-5-17-11-7-9(15)8(14)6-10(11)16-13(2,3)12(17)18/h6-7,16H,4-5H2,1-3H3.
What are the key properties of 6,7-dichloro-3,3-dimethyl-1-propyl-4H-quinoxalin-2-one?
6,7-dichloro-3,3-dimethyl-1-propyl-4H-quinoxalin-2-one has a molecular weight of 287.19 g/mol, XLogP of 3.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-3,3-dimethyl-1-propyl-4H-quinoxalin-2-one is sourced from PubChem (CID 82157682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).