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

C13H16Cl2N2O — CID 82157685

IUPAC6,7-dichloro-3,3-dimethyl-1-propan-2-yl-4H-quinoxalin-2-one
SMILESCC(C)N1C(=O)C(C)(C)Nc2cc(Cl)c(Cl)cc21
InChIInChI=1S/C13H16Cl2N2O/c1-7(2)17-11-6-9(15)8(14)5-10(11)16-13(3,4)12(17)18/h5-7,16H,1-4H3
InChIKeyNEAZPVVFHJLAHR-UHFFFAOYSA-N
MW287.19 g/mol
LogP3.94
Rot. Bonds1

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

6,7-dichloro-3,3-dimethyl-1-propan-2-yl-4H-quinoxalin-2-one (PubChem CID 82157685) 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-propan-2-yl-4H-quinoxalin-2-one.

Molecular Properties

Compound Name6,7-dichloro-3,3-dimethyl-1-propan-2-yl-4H-quinoxalin-2-one
PubChem CID82157685
Molecular FormulaC13H16Cl2N2O
Molecular Weight287.19 g/mol
Exact Mass286.06
IUPAC Name6,7-dichloro-3,3-dimethyl-1-propan-2-yl-4H-quinoxalin-2-one
SMILESCC(C)N1C(=O)C(C)(C)Nc2cc(Cl)c(Cl)cc21
InChIInChI=1S/C13H16Cl2N2O/c1-7(2)17-11-6-9(15)8(14)5-10(11)16-13(3,4)12(17)18/h5-7,16H,1-4H3
InChIKeyNEAZPVVFHJLAHR-UHFFFAOYSA-N
XLogP3.94
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
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-propyl-4H-quinoxalin-2-one
CID 82157682
7-(hydroxymethyl)-3,3-dimethyl-1-propan-2-yl-4H-quinoxalin-2-one
CID 115096214
6,7-dichloro-1,3-di(propan-2-yl)-3,4-dihydroquinoxalin-2-one
CID 82157709
8-amino-3,3-dimethyl-1-propan-2-yl-4H-quinoxalin-2-one
CID 115096054
8-(aminomethyl)-3,3-dimethyl-1-propan-2-yl-4H-quinoxalin-2-one
CID 115096051
5-methoxy-3,3-dimethyl-1-propan-2-yl-4H-quinoxalin-2-one
CID 115094901
6,7-difluoro-3,3-dimethyl-1-(3-methylbutyl)-4H-quinoxalin-2-one
CID 82157550
6-chloro-7-cyclopropyl-1-propan-2-yl-3,4-dihydroquinoxalin-2-one
CID 155027483
1-(2-bromo-5-chloro-4-methylphenyl)-3,3,6-trimethylpiperazine-2,5-dione
CID 104725441
1,3,3-trimethyl-8-propan-2-yl-4H-quinoxalin-2-one
CID 84627207
1-ethyl-6,7-difluoro-3,3-dimethyl-4H-quinoxalin-2-one
CID 82157548

Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-3,3-dimethyl-1-propan-2-yl-4H-quinoxalin-2-one?
The IUPAC name of 6,7-dichloro-3,3-dimethyl-1-propan-2-yl-4H-quinoxalin-2-one (CID 82157685) is 6,7-dichloro-3,3-dimethyl-1-propan-2-yl-4H-quinoxalin-2-one.
What is the SMILES notation for 6,7-dichloro-3,3-dimethyl-1-propan-2-yl-4H-quinoxalin-2-one?
The canonical SMILES for 6,7-dichloro-3,3-dimethyl-1-propan-2-yl-4H-quinoxalin-2-one is CC(C)N1C(=O)C(C)(C)Nc2cc(Cl)c(Cl)cc21.
What is the InChIKey of 6,7-dichloro-3,3-dimethyl-1-propan-2-yl-4H-quinoxalin-2-one?
The InChIKey is NEAZPVVFHJLAHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O/c1-7(2)17-11-6-9(15)8(14)5-10(11)16-13(3,4)12(17)18/h5-7,16H,1-4H3.
What are the key properties of 6,7-dichloro-3,3-dimethyl-1-propan-2-yl-4H-quinoxalin-2-one?
6,7-dichloro-3,3-dimethyl-1-propan-2-yl-4H-quinoxalin-2-one has a molecular weight of 287.19 g/mol, XLogP of 3.94, 1 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-propan-2-yl-4H-quinoxalin-2-one is sourced from PubChem (CID 82157685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).