6,7-dichloro-3,3-dimethyl-1-(2-methylpropyl)-4H-quinoxalin-2-one

C14H18Cl2N2O — CID 82157688

IUPAC6,7-dichloro-3,3-dimethyl-1-(2-methylpropyl)-4H-quinoxalin-2-one
SMILESCC(C)CN1C(=O)C(C)(C)Nc2cc(Cl)c(Cl)cc21
InChIInChI=1S/C14H18Cl2N2O/c1-8(2)7-18-12-6-10(16)9(15)5-11(12)17-14(3,4)13(18)19/h5-6,8,17H,7H2,1-4H3
InChIKeyAIIKYDZLZPCGFQ-UHFFFAOYSA-N
MW301.22 g/mol
LogP4.19
Rot. Bonds2

About 6,7-dichloro-3,3-dimethyl-1-(2-methylpropyl)-4H-quinoxalin-2-one

6,7-dichloro-3,3-dimethyl-1-(2-methylpropyl)-4H-quinoxalin-2-one (PubChem CID 82157688) has the molecular formula C14H18Cl2N2O and a molecular weight of 301.22 g/mol. Its IUPAC name is 6,7-dichloro-3,3-dimethyl-1-(2-methylpropyl)-4H-quinoxalin-2-one.

Molecular Properties

Compound Name6,7-dichloro-3,3-dimethyl-1-(2-methylpropyl)-4H-quinoxalin-2-one
PubChem CID82157688
Molecular FormulaC14H18Cl2N2O
Molecular Weight301.22 g/mol
Exact Mass300.08
IUPAC Name6,7-dichloro-3,3-dimethyl-1-(2-methylpropyl)-4H-quinoxalin-2-one
SMILESCC(C)CN1C(=O)C(C)(C)Nc2cc(Cl)c(Cl)cc21
InChIInChI=1S/C14H18Cl2N2O/c1-8(2)7-18-12-6-10(16)9(15)5-11(12)17-14(3,4)13(18)19/h5-6,8,17H,7H2,1-4H3
InChIKeyAIIKYDZLZPCGFQ-UHFFFAOYSA-N
XLogP4.19
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.22
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6,7-dichloro-3,3-dimethyl-1-propyl-4H-quinoxalin-2-one
CID 82157682
6,7-dichloro-3,3-dimethyl-1-propan-2-yl-4H-quinoxalin-2-one
CID 82157685
6,7-difluoro-3,3-dimethyl-1-(3-methylbutyl)-4H-quinoxalin-2-one
CID 82157550
1-ethyl-6,7-difluoro-3,3-dimethyl-4H-quinoxalin-2-one
CID 82157548
6,6-dimethyl-8-(3-methylbutyl)-5H-[1,3]dioxolo[4,5-g]quinoxalin-7-one
CID 82157901
3-ethyl-3,6-dimethyl-1-(2,4,5-trichlorophenyl)piperazine-2,5-dione
CID 64962096
1-ethyl-6-fluoro-3,3-dimethyl-4H-quinoxalin-2-one
CID 115095324
3-(4-methoxy-2-methylpentyl)-5,5-dimethylimidazolidine-2,4-dione
CID 126615558
6,7-dichloro-1-(2,3-dihydroxypropyl)-3-methyl-3,4-dihydroquinoxalin-2-one
CID 82157674
6-(aminomethyl)-1-ethyl-3,3-dimethyl-4H-quinoxalin-2-one
CID 115096362
3,3-dimethyl-1-(2-methylpropyl)-2,4-dioxo-5H-1,5-benzodiazepine-7-carbonitrile
CID 66961020
7-amino-2,2-dimethyl-4-(2-methylpropyl)-1,4-benzothiazin-3-one
CID 84615500

Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-3,3-dimethyl-1-(2-methylpropyl)-4H-quinoxalin-2-one?
The IUPAC name of 6,7-dichloro-3,3-dimethyl-1-(2-methylpropyl)-4H-quinoxalin-2-one (CID 82157688) is 6,7-dichloro-3,3-dimethyl-1-(2-methylpropyl)-4H-quinoxalin-2-one.
What is the SMILES notation for 6,7-dichloro-3,3-dimethyl-1-(2-methylpropyl)-4H-quinoxalin-2-one?
The canonical SMILES for 6,7-dichloro-3,3-dimethyl-1-(2-methylpropyl)-4H-quinoxalin-2-one is CC(C)CN1C(=O)C(C)(C)Nc2cc(Cl)c(Cl)cc21.
What is the InChIKey of 6,7-dichloro-3,3-dimethyl-1-(2-methylpropyl)-4H-quinoxalin-2-one?
The InChIKey is AIIKYDZLZPCGFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O/c1-8(2)7-18-12-6-10(16)9(15)5-11(12)17-14(3,4)13(18)19/h5-6,8,17H,7H2,1-4H3.
What are the key properties of 6,7-dichloro-3,3-dimethyl-1-(2-methylpropyl)-4H-quinoxalin-2-one?
6,7-dichloro-3,3-dimethyl-1-(2-methylpropyl)-4H-quinoxalin-2-one has a molecular weight of 301.22 g/mol, XLogP of 4.19, 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-(2-methylpropyl)-4H-quinoxalin-2-one is sourced from PubChem (CID 82157688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).