6,7-difluoro-3-methyl-1-nonyl-3,4-dihydroquinoxalin-2-one

C18H26F2N2O — CID 82157533

IUPAC6,7-difluoro-3-methyl-1-nonyl-3,4-dihydroquinoxalin-2-one
SMILESCCCCCCCCCN1C(=O)C(C)Nc2cc(F)c(F)cc21
InChIInChI=1S/C18H26F2N2O/c1-3-4-5-6-7-8-9-10-22-17-12-15(20)14(19)11-16(17)21-13(2)18(22)23/h11-13,21H,3-10H2,1-2H3
InChIKeyFEBFOBSREONEOH-UHFFFAOYSA-N
MW324.42 g/mol
LogP4.86
Rot. Bonds8

About 6,7-difluoro-3-methyl-1-nonyl-3,4-dihydroquinoxalin-2-one

6,7-difluoro-3-methyl-1-nonyl-3,4-dihydroquinoxalin-2-one (PubChem CID 82157533) has the molecular formula C18H26F2N2O and a molecular weight of 324.42 g/mol. Its IUPAC name is 6,7-difluoro-3-methyl-1-nonyl-3,4-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name6,7-difluoro-3-methyl-1-nonyl-3,4-dihydroquinoxalin-2-one
PubChem CID82157533
Molecular FormulaC18H26F2N2O
Molecular Weight324.42 g/mol
Exact Mass324.20
IUPAC Name6,7-difluoro-3-methyl-1-nonyl-3,4-dihydroquinoxalin-2-one
SMILESCCCCCCCCCN1C(=O)C(C)Nc2cc(F)c(F)cc21
InChIInChI=1S/C18H26F2N2O/c1-3-4-5-6-7-8-9-10-22-17-12-15(20)14(19)11-16(17)21-13(2)18(22)23/h11-13,21H,3-10H2,1-2H3
InChIKeyFEBFOBSREONEOH-UHFFFAOYSA-N
XLogP4.86
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6,7-difluoro-1-(3-hydroxypropyl)-3-methyl-3,4-dihydroquinoxalin-2-one
CID 82157531
1-butyl-3,6,7-trimethyl-3,4-dihydroquinoxalin-2-one
CID 82157281
(3R)-1-butyl-3-methyl-3,4-dihydroquinoxalin-2-one
CID 94764092
3-ethyl-1-hexyl-6,7-dimethyl-3,4-dihydroquinoxalin-2-one
CID 82157230
1-hexyl-6,7-dimethyl-3-propan-2-yl-3,4-dihydroquinoxalin-2-one
CID 82157206
1-ethyl-3,6,7-trimethyl-3,4-dihydroquinoxalin-2-one
CID 82157287
1-hexadecyl-3,4-dimethylpyrrolidine-2,5-dione
CID 58800399
3-amino-5-fluoro-1-octyl-3H-indol-2-one
CID 43254783
3,6,7-trimethyl-1-(2-methylpropyl)-3,4-dihydroquinoxalin-2-one
CID 82157291
1-ethyl-8-fluoro-3-methyl-3,4-dihydroquinoxalin-2-one
CID 115095003
2-(3,6,7-trimethyl-2-oxo-3,4-dihydroquinoxalin-1-yl)acetic acid
CID 82157268
1-[2-(dimethylamino)ethyl]-3,6,7-trimethyl-3,4-dihydroquinoxalin-2-one
CID 82157305

Frequently Asked Questions

What is the IUPAC name of 6,7-difluoro-3-methyl-1-nonyl-3,4-dihydroquinoxalin-2-one?
The IUPAC name of 6,7-difluoro-3-methyl-1-nonyl-3,4-dihydroquinoxalin-2-one (CID 82157533) is 6,7-difluoro-3-methyl-1-nonyl-3,4-dihydroquinoxalin-2-one.
What is the SMILES notation for 6,7-difluoro-3-methyl-1-nonyl-3,4-dihydroquinoxalin-2-one?
The canonical SMILES for 6,7-difluoro-3-methyl-1-nonyl-3,4-dihydroquinoxalin-2-one is CCCCCCCCCN1C(=O)C(C)Nc2cc(F)c(F)cc21.
What is the InChIKey of 6,7-difluoro-3-methyl-1-nonyl-3,4-dihydroquinoxalin-2-one?
The InChIKey is FEBFOBSREONEOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26F2N2O/c1-3-4-5-6-7-8-9-10-22-17-12-15(20)14(19)11-16(17)21-13(2)18(22)23/h11-13,21H,3-10H2,1-2H3.
What are the key properties of 6,7-difluoro-3-methyl-1-nonyl-3,4-dihydroquinoxalin-2-one?
6,7-difluoro-3-methyl-1-nonyl-3,4-dihydroquinoxalin-2-one has a molecular weight of 324.42 g/mol, XLogP of 4.86, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-difluoro-3-methyl-1-nonyl-3,4-dihydroquinoxalin-2-one is sourced from PubChem (CID 82157533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).