4-ethyl-7-fluoro-3,3,6-trimethyl-1,2-dihydroquinoxaline

C13H19FN2 — CID 103594586

IUPAC4-ethyl-7-fluoro-3,3,6-trimethyl-1,2-dihydroquinoxaline
SMILESCCN1c2cc(C)c(F)cc2NCC1(C)C
InChIInChI=1S/C13H19FN2/c1-5-16-12-6-9(2)10(14)7-11(12)15-8-13(16,3)4/h6-7,15H,5,8H2,1-4H3
InChIKeyUDIIULMKQJIPAO-UHFFFAOYSA-N
MW222.31 g/mol
LogP3.16
Rot. Bonds1

About 4-ethyl-7-fluoro-3,3,6-trimethyl-1,2-dihydroquinoxaline

4-ethyl-7-fluoro-3,3,6-trimethyl-1,2-dihydroquinoxaline (PubChem CID 103594586) has the molecular formula C13H19FN2 and a molecular weight of 222.31 g/mol. Its IUPAC name is 4-ethyl-7-fluoro-3,3,6-trimethyl-1,2-dihydroquinoxaline.

Molecular Properties

Compound Name4-ethyl-7-fluoro-3,3,6-trimethyl-1,2-dihydroquinoxaline
PubChem CID103594586
Molecular FormulaC13H19FN2
Molecular Weight222.31 g/mol
Exact Mass222.15
IUPAC Name4-ethyl-7-fluoro-3,3,6-trimethyl-1,2-dihydroquinoxaline
SMILESCCN1c2cc(C)c(F)cc2NCC1(C)C
InChIInChI=1S/C13H19FN2/c1-5-16-12-6-9(2)10(14)7-11(12)15-8-13(16,3)4/h6-7,15H,5,8H2,1-4H3
InChIKeyUDIIULMKQJIPAO-UHFFFAOYSA-N
XLogP3.16
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-ethyl-7,7-dimethyl-2,3,8,9-tetrahydro-[1,4]dioxino[2,3-g]quinoxaline
CID 82156529
4-[(3,4-difluorophenyl)methyl]-3,3,6,7-tetramethyl-1,2-dihydroquinoxaline
CID 94763795
4-benzyl-3,3,6,7-tetramethyl-1,2-dihydroquinoxaline
CID 82156683
7-fluoro-3,3,8-trimethyl-2,5-dihydro-1H-1,5-benzodiazepin-4-one
CID 103594495
5-cyclopropyl-8-fluoro-7-methyl-1,2,3,4-tetrahydro-1,5-benzodiazepine
CID 103594537
6-fluoro-7-methyl-1,2,3,4-tetrahydroquinoxaline
CID 103594535
5-fluoro-2,2,6-trimethyl-1,3-benzodioxole
CID 22955941
ethane;5-fluoro-3,6-dimethyl-1,2-dihydrobenzimidazole
CID 162382189
2-(4,4-diethylpiperidin-1-yl)-5-fluoro-4-methylaniline
CID 103590369
3,3-diethyl-6,8-difluoro-1,2,4,5-tetrahydro-1,5-benzodiazepine
CID 115510199
4-ethyl-6,7-dimethyl-2,3-dihydro-1H-quinoxaline
CID 82156538
1-(6-fluoro-2,2-dimethyl-3,4-dihydroquinoxalin-1-yl)ethanone
CID 82392206

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-7-fluoro-3,3,6-trimethyl-1,2-dihydroquinoxaline?
The IUPAC name of 4-ethyl-7-fluoro-3,3,6-trimethyl-1,2-dihydroquinoxaline (CID 103594586) is 4-ethyl-7-fluoro-3,3,6-trimethyl-1,2-dihydroquinoxaline.
What is the SMILES notation for 4-ethyl-7-fluoro-3,3,6-trimethyl-1,2-dihydroquinoxaline?
The canonical SMILES for 4-ethyl-7-fluoro-3,3,6-trimethyl-1,2-dihydroquinoxaline is CCN1c2cc(C)c(F)cc2NCC1(C)C.
What is the InChIKey of 4-ethyl-7-fluoro-3,3,6-trimethyl-1,2-dihydroquinoxaline?
The InChIKey is UDIIULMKQJIPAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2/c1-5-16-12-6-9(2)10(14)7-11(12)15-8-13(16,3)4/h6-7,15H,5,8H2,1-4H3.
What are the key properties of 4-ethyl-7-fluoro-3,3,6-trimethyl-1,2-dihydroquinoxaline?
4-ethyl-7-fluoro-3,3,6-trimethyl-1,2-dihydroquinoxaline has a molecular weight of 222.31 g/mol, XLogP of 3.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-7-fluoro-3,3,6-trimethyl-1,2-dihydroquinoxaline is sourced from PubChem (CID 103594586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).