(3-ethoxyquinoxalin-2-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone

C22H21F3N4O2 — CID 53323253

IUPAC(3-ethoxyquinoxalin-2-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
SMILESCCOc1nc2ccccc2nc1C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C22H21F3N4O2/c1-2-31-20-19(26-17-8-3-4-9-18(17)27-20)21(30)29-12-10-28(11-13-29)16-7-5-6-15(14-16)22(23,24)25/h3-9,14H,2,10-13H2,1H3
InChIKeyXPULFEAVXCHIQJ-UHFFFAOYSA-N
MW430.43 g/mol
LogP4.01
Rot. Bonds4

About (3-ethoxyquinoxalin-2-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone

(3-ethoxyquinoxalin-2-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone (PubChem CID 53323253) has the molecular formula C22H21F3N4O2 and a molecular weight of 430.43 g/mol. Its IUPAC name is (3-ethoxyquinoxalin-2-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-ethoxyquinoxalin-2-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
PubChem CID53323253
Molecular FormulaC22H21F3N4O2
Molecular Weight430.43 g/mol
Exact Mass430.16
IUPAC Name(3-ethoxyquinoxalin-2-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
SMILESCCOc1nc2ccccc2nc1C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C22H21F3N4O2/c1-2-31-20-19(26-17-8-3-4-9-18(17)27-20)21(30)29-12-10-28(11-13-29)16-7-5-6-15(14-16)22(23,24)25/h3-9,14H,2,10-13H2,1H3
InChIKeyXPULFEAVXCHIQJ-UHFFFAOYSA-N
XLogP4.01
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.43
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-ethoxyquinoxalin-2-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?
The IUPAC name of (3-ethoxyquinoxalin-2-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone (CID 53323253) is (3-ethoxyquinoxalin-2-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone.
What is the SMILES notation for (3-ethoxyquinoxalin-2-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?
The canonical SMILES for (3-ethoxyquinoxalin-2-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone is CCOc1nc2ccccc2nc1C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of (3-ethoxyquinoxalin-2-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?
The InChIKey is XPULFEAVXCHIQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N4O2/c1-2-31-20-19(26-17-8-3-4-9-18(17)27-20)21(30)29-12-10-28(11-13-29)16-7-5-6-15(14-16)22(23,24)25/h3-9,14H,2,10-13H2,1H3.
What are the key properties of (3-ethoxyquinoxalin-2-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?
(3-ethoxyquinoxalin-2-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone has a molecular weight of 430.43 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethoxyquinoxalin-2-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone is sourced from PubChem (CID 53323253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).