2-(4-ethylpiperazin-1-yl)-3-phenyl-6-(trifluoromethyl)quinoxaline

C21H21F3N4 — CID 10596297

IUPAC2-(4-ethylpiperazin-1-yl)-3-phenyl-6-(trifluoromethyl)quinoxaline
SMILESCCN1CCN(c2nc3ccc(C(F)(F)F)cc3nc2-c2ccccc2)CC1
InChIInChI=1S/C21H21F3N4/c1-2-27-10-12-28(13-11-27)20-19(15-6-4-3-5-7-15)25-18-14-16(21(22,23)24)8-9-17(18)26-20/h3-9,14H,2,10-13H2,1H3
InChIKeyNUNLOGUANQLIJX-UHFFFAOYSA-N
MW386.42 g/mol
LogP4.46
Rot. Bonds3

About 2-(4-ethylpiperazin-1-yl)-3-phenyl-6-(trifluoromethyl)quinoxaline

2-(4-ethylpiperazin-1-yl)-3-phenyl-6-(trifluoromethyl)quinoxaline (PubChem CID 10596297) has the molecular formula C21H21F3N4 and a molecular weight of 386.42 g/mol. Its IUPAC name is 2-(4-ethylpiperazin-1-yl)-3-phenyl-6-(trifluoromethyl)quinoxaline.

Molecular Properties

Compound Name2-(4-ethylpiperazin-1-yl)-3-phenyl-6-(trifluoromethyl)quinoxaline
PubChem CID10596297
Molecular FormulaC21H21F3N4
Molecular Weight386.42 g/mol
Exact Mass386.17
IUPAC Name2-(4-ethylpiperazin-1-yl)-3-phenyl-6-(trifluoromethyl)quinoxaline
SMILESCCN1CCN(c2nc3ccc(C(F)(F)F)cc3nc2-c2ccccc2)CC1
InChIInChI=1S/C21H21F3N4/c1-2-27-10-12-28(13-11-27)20-19(15-6-4-3-5-7-15)25-18-14-16(21(22,23)24)8-9-17(18)26-20/h3-9,14H,2,10-13H2,1H3
InChIKeyNUNLOGUANQLIJX-UHFFFAOYSA-N
XLogP4.46
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.42
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(3,4-dimethylphenyl)methyl]piperazin-1-yl]-3-phenylquinoxaline
CID 139230984
2-phenyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)quinoxaline-6-carboxylic acid
CID 50992112
2-[3,5-bis[3-phenyl-6-(trifluoromethyl)quinoxalin-2-yl]phenyl]-6-(fluoromethyl)-3-phenylquinoxaline
CID 118672012
2-(4-methylsulfonylpiperazin-1-yl)-3-phenylquinoxaline
CID 2997171
methyl 3-(4-methylpiperazin-1-yl)-2-phenylquinoxaline-6-carboxylate
CID 67041699
[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-[4-(3-phenylquinoxalin-2-yl)piperazin-1-yl]methanone
CID 46093080
1-(4-ethylpiperazin-1-yl)-4-methoxy-3-(4-methoxyphenyl)isoquinoline
CID 22503036
(2R)-1-[4-(6,7-dimethyl-3-phenylquinoxalin-2-yl)piperazin-1-yl]-2-ethylhexan-1-one
CID 92770846
2-phenyl-1-propyl-5-(trifluoromethyl)benzimidazole
CID 46310703
(4-tert-butylphenyl)-[4-(3-phenylquinoxalin-2-yl)-1,4-diazepan-1-yl]methanone
CID 46093506
2-[(4-fluorophenoxy)methyl]-3-phenyl-6-(trifluoromethyl)quinoxaline
CID 100921636
2-(4-benzylsulfonylpiperazin-1-yl)-3-phenylquinoxaline
CID 46093711

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylpiperazin-1-yl)-3-phenyl-6-(trifluoromethyl)quinoxaline?
The IUPAC name of 2-(4-ethylpiperazin-1-yl)-3-phenyl-6-(trifluoromethyl)quinoxaline (CID 10596297) is 2-(4-ethylpiperazin-1-yl)-3-phenyl-6-(trifluoromethyl)quinoxaline.
What is the SMILES notation for 2-(4-ethylpiperazin-1-yl)-3-phenyl-6-(trifluoromethyl)quinoxaline?
The canonical SMILES for 2-(4-ethylpiperazin-1-yl)-3-phenyl-6-(trifluoromethyl)quinoxaline is CCN1CCN(c2nc3ccc(C(F)(F)F)cc3nc2-c2ccccc2)CC1.
What is the InChIKey of 2-(4-ethylpiperazin-1-yl)-3-phenyl-6-(trifluoromethyl)quinoxaline?
The InChIKey is NUNLOGUANQLIJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N4/c1-2-27-10-12-28(13-11-27)20-19(15-6-4-3-5-7-15)25-18-14-16(21(22,23)24)8-9-17(18)26-20/h3-9,14H,2,10-13H2,1H3.
What are the key properties of 2-(4-ethylpiperazin-1-yl)-3-phenyl-6-(trifluoromethyl)quinoxaline?
2-(4-ethylpiperazin-1-yl)-3-phenyl-6-(trifluoromethyl)quinoxaline has a molecular weight of 386.42 g/mol, XLogP of 4.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylpiperazin-1-yl)-3-phenyl-6-(trifluoromethyl)quinoxaline is sourced from PubChem (CID 10596297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).