1-(4-chlorophenyl)-4-[8-(trifluoromethyl)pyrrolo[1,2-a]quinoxalin-4-yl]piperazin-2-one

C22H16ClF3N4O — CID 155406546

IUPAC1-(4-chlorophenyl)-4-[8-(trifluoromethyl)pyrrolo[1,2-a]quinoxalin-4-yl]piperazin-2-one
SMILESO=C1CN(c2nc3ccc(C(F)(F)F)cc3n3cccc23)CCN1c1ccc(Cl)cc1
InChIInChI=1S/C22H16ClF3N4O/c23-15-4-6-16(7-5-15)29-11-10-28(13-20(29)31)21-18-2-1-9-30(18)19-12-14(22(24,25)26)3-8-17(19)27-21/h1-9,12H,10-11,13H2
InChIKeyIAEQQUUDJYAGEH-UHFFFAOYSA-N
MW444.84 g/mol
LogP5.01
Rot. Bonds2

About 1-(4-chlorophenyl)-4-[8-(trifluoromethyl)pyrrolo[1,2-a]quinoxalin-4-yl]piperazin-2-one

1-(4-chlorophenyl)-4-[8-(trifluoromethyl)pyrrolo[1,2-a]quinoxalin-4-yl]piperazin-2-one (PubChem CID 155406546) has the molecular formula C22H16ClF3N4O and a molecular weight of 444.84 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-4-[8-(trifluoromethyl)pyrrolo[1,2-a]quinoxalin-4-yl]piperazin-2-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-4-[8-(trifluoromethyl)pyrrolo[1,2-a]quinoxalin-4-yl]piperazin-2-one
PubChem CID155406546
Molecular FormulaC22H16ClF3N4O
Molecular Weight444.84 g/mol
Exact Mass444.10
IUPAC Name1-(4-chlorophenyl)-4-[8-(trifluoromethyl)pyrrolo[1,2-a]quinoxalin-4-yl]piperazin-2-one
SMILESO=C1CN(c2nc3ccc(C(F)(F)F)cc3n3cccc23)CCN1c1ccc(Cl)cc1
InChIInChI=1S/C22H16ClF3N4O/c23-15-4-6-16(7-5-15)29-11-10-28(13-20(29)31)21-18-2-1-9-30(18)19-12-14(22(24,25)26)3-8-17(19)27-21/h1-9,12H,10-11,13H2
InChIKeyIAEQQUUDJYAGEH-UHFFFAOYSA-N
XLogP5.01
TPSA40.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.84
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

CGS 12066B-parent
CID 2689
4-(4-Benzylpiperazin-1-yl)-7-chloropyrrolo[1,2-a]quinoxaline
CID 10738329
1-[4-[8-(2-Chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]piperazin-1-yl]-2,2,2-trifluoroethanone
CID 135156335
4-[4-[(4-Fluorophenyl)methyl]piperazin-1-yl]-7-methylpyrrolo[1,2-a]quinoxaline
CID 10571450
4-(4-Benzylpiperazin-1-yl)-8-chloropyrrolo[1,2-a]quinoxaline
CID 10619583
7-Chloro-4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]pyrrolo[1,2-a]quinoxaline
CID 10620679
4-(4-Benzyl-piperazin-1-yl)-7-methyl-pyrrolo[1,2-a]quinoxaline
CID 10642020
1-(3-Chloro-phenyl)-4-{3-[6-(4-trifluoromethyl-phenyl)-pyridin-3-ylmethyl]-3H-imidazol-4-ylmethyl}-piperazin-2-one
CID 9936676
4-(4-Benzyl-piperazin-1-yl)-7,8-dichloro-pyrrolo[1,2-a]quinoxaline
CID 10716537
N-(4-Chlorophenyl)-1-{pyrrolo[1,2-A]quinoxalin-4-YL}piperidine-4-carboxamide
CID 16018102
N-(5-Chloro-2-methylphenyl)-1-{pyrrolo[1,2-A]quinoxalin-4-YL}piperidine-4-carboxamide
CID 16018104
1-(4-Amino-quinazolin-7-ylmethyl)-4-(6-chloro-1-methyl-1H-benzoimidazol-2-ylmethyl)-piperazin-2-one
CID 44384040

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-4-[8-(trifluoromethyl)pyrrolo[1,2-a]quinoxalin-4-yl]piperazin-2-one?
The IUPAC name of 1-(4-chlorophenyl)-4-[8-(trifluoromethyl)pyrrolo[1,2-a]quinoxalin-4-yl]piperazin-2-one (CID 155406546) is 1-(4-chlorophenyl)-4-[8-(trifluoromethyl)pyrrolo[1,2-a]quinoxalin-4-yl]piperazin-2-one.
What is the SMILES notation for 1-(4-chlorophenyl)-4-[8-(trifluoromethyl)pyrrolo[1,2-a]quinoxalin-4-yl]piperazin-2-one?
The canonical SMILES for 1-(4-chlorophenyl)-4-[8-(trifluoromethyl)pyrrolo[1,2-a]quinoxalin-4-yl]piperazin-2-one is O=C1CN(c2nc3ccc(C(F)(F)F)cc3n3cccc23)CCN1c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-4-[8-(trifluoromethyl)pyrrolo[1,2-a]quinoxalin-4-yl]piperazin-2-one?
The InChIKey is IAEQQUUDJYAGEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClF3N4O/c23-15-4-6-16(7-5-15)29-11-10-28(13-20(29)31)21-18-2-1-9-30(18)19-12-14(22(24,25)26)3-8-17(19)27-21/h1-9,12H,10-11,13H2.
What are the key properties of 1-(4-chlorophenyl)-4-[8-(trifluoromethyl)pyrrolo[1,2-a]quinoxalin-4-yl]piperazin-2-one?
1-(4-chlorophenyl)-4-[8-(trifluoromethyl)pyrrolo[1,2-a]quinoxalin-4-yl]piperazin-2-one has a molecular weight of 444.84 g/mol, XLogP of 5.01, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-4-[8-(trifluoromethyl)pyrrolo[1,2-a]quinoxalin-4-yl]piperazin-2-one is sourced from PubChem (CID 155406546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).