6,7-difluoro-3,3-dimethyl-1-(3-methylbutyl)-4H-quinoxalin-2-one

C15H20F2N2O — CID 82157550

IUPAC6,7-difluoro-3,3-dimethyl-1-(3-methylbutyl)-4H-quinoxalin-2-one
SMILESCC(C)CCN1C(=O)C(C)(C)Nc2cc(F)c(F)cc21
InChIInChI=1S/C15H20F2N2O/c1-9(2)5-6-19-13-8-11(17)10(16)7-12(13)18-15(3,4)14(19)20/h7-9,18H,5-6H2,1-4H3
InChIKeyDJWYTXLWPMCRKD-UHFFFAOYSA-N
MW282.33 g/mol
LogP3.55
Rot. Bonds3

About 6,7-difluoro-3,3-dimethyl-1-(3-methylbutyl)-4H-quinoxalin-2-one

6,7-difluoro-3,3-dimethyl-1-(3-methylbutyl)-4H-quinoxalin-2-one (PubChem CID 82157550) has the molecular formula C15H20F2N2O and a molecular weight of 282.33 g/mol. Its IUPAC name is 6,7-difluoro-3,3-dimethyl-1-(3-methylbutyl)-4H-quinoxalin-2-one.

Molecular Properties

Compound Name6,7-difluoro-3,3-dimethyl-1-(3-methylbutyl)-4H-quinoxalin-2-one
PubChem CID82157550
Molecular FormulaC15H20F2N2O
Molecular Weight282.33 g/mol
Exact Mass282.15
IUPAC Name6,7-difluoro-3,3-dimethyl-1-(3-methylbutyl)-4H-quinoxalin-2-one
SMILESCC(C)CCN1C(=O)C(C)(C)Nc2cc(F)c(F)cc21
InChIInChI=1S/C15H20F2N2O/c1-9(2)5-6-19-13-8-11(17)10(16)7-12(13)18-15(3,4)14(19)20/h7-9,18H,5-6H2,1-4H3
InChIKeyDJWYTXLWPMCRKD-UHFFFAOYSA-N
XLogP3.55
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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
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
1-ethyl-6-fluoro-3,3-dimethyl-4H-quinoxalin-2-one
CID 115095324
1-ethyl-8-fluoro-3,3-dimethyl-4H-quinoxalin-2-one
CID 115095078
3-(7,7-dimethyl-8-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinoxalin-9-yl)propanoic acid
CID 94765802
3,3-dimethyl-5-(3-methylbutyl)-1,2-dihydro-1,5-benzodiazepin-4-one
CID 117015913
7-bromo-1-(3-methylbutyl)-3,4-dihydroquinoxalin-2-one
CID 117006307
6,7-dichloro-3,3-dimethyl-1-propan-2-yl-4H-quinoxalin-2-one
CID 82157685
3-(3-methylbutyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 62849667
7,8-difluoro-4,4-dimethyl-5H-pyrrolo[1,2-a]quinoxaline
CID 69067678

Frequently Asked Questions

What is the IUPAC name of 6,7-difluoro-3,3-dimethyl-1-(3-methylbutyl)-4H-quinoxalin-2-one?
The IUPAC name of 6,7-difluoro-3,3-dimethyl-1-(3-methylbutyl)-4H-quinoxalin-2-one (CID 82157550) is 6,7-difluoro-3,3-dimethyl-1-(3-methylbutyl)-4H-quinoxalin-2-one.
What is the SMILES notation for 6,7-difluoro-3,3-dimethyl-1-(3-methylbutyl)-4H-quinoxalin-2-one?
The canonical SMILES for 6,7-difluoro-3,3-dimethyl-1-(3-methylbutyl)-4H-quinoxalin-2-one is CC(C)CCN1C(=O)C(C)(C)Nc2cc(F)c(F)cc21.
What is the InChIKey of 6,7-difluoro-3,3-dimethyl-1-(3-methylbutyl)-4H-quinoxalin-2-one?
The InChIKey is DJWYTXLWPMCRKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O/c1-9(2)5-6-19-13-8-11(17)10(16)7-12(13)18-15(3,4)14(19)20/h7-9,18H,5-6H2,1-4H3.
What are the key properties of 6,7-difluoro-3,3-dimethyl-1-(3-methylbutyl)-4H-quinoxalin-2-one?
6,7-difluoro-3,3-dimethyl-1-(3-methylbutyl)-4H-quinoxalin-2-one has a molecular weight of 282.33 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-difluoro-3,3-dimethyl-1-(3-methylbutyl)-4H-quinoxalin-2-one is sourced from PubChem (CID 82157550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).