2-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone

C32H26F3N5O — CID 160782838

IUPAC2-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone
SMILESO=C(Cc1ccc(-c2ccc3ncc(N4CCN(c5ccncc5)CC4)nc3c2)cc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C32H26F3N5O/c33-32(34,35)26-3-1-2-25(19-26)30(41)18-22-4-6-23(7-5-22)24-8-9-28-29(20-24)38-31(21-37-28)40-16-14-39(15-17-40)27-10-12-36-13-11-27/h1-13,19-21H,14-18H2
InChIKeySAUPDFATGPLRLO-UHFFFAOYSA-N
MW553.59 g/mol
LogP6.46
Rot. Bonds6

About 2-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone

2-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone (PubChem CID 160782838) has the molecular formula C32H26F3N5O and a molecular weight of 553.59 g/mol. Its IUPAC name is 2-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name2-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone
PubChem CID160782838
Molecular FormulaC32H26F3N5O
Molecular Weight553.59 g/mol
Exact Mass553.21
IUPAC Name2-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone
SMILESO=C(Cc1ccc(-c2ccc3ncc(N4CCN(c5ccncc5)CC4)nc3c2)cc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C32H26F3N5O/c33-32(34,35)26-3-1-2-25(19-26)30(41)18-22-4-6-23(7-5-22)24-8-9-28-29(20-24)38-31(21-37-28)40-16-14-39(15-17-40)27-10-12-36-13-11-27/h1-13,19-21H,14-18H2
InChIKeySAUPDFATGPLRLO-UHFFFAOYSA-N
XLogP6.46
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.59
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone with MolForge

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Related Compounds

4-methyl-N-(2-(piperidin-1-yl)-5-(trifluoromethyl)phenyl)-3-(3-(pyrimidin-4-yl)pyridin-2-ylamino)benzamide
CID 11678175
TbPTR1 inhibitor 1
CID 164517153
4-methyl-3-(2-(methylamino)quinazolin-6-yl)-N-(2-(piperidin-1-yl)-5-(trifluoromethyl)phenyl)benzamide
CID 16086105
4-[4-[9-(2-aminopyrimidin-5-yl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-2-(trifluoromethyl)phenyl]-N-(1-methylpiperidin-4-yl)benzamide
CID 56663021
Piperidin-1-yl-(3-pyrimidin-5-ylquinoxalin-6-yl)methanone
CID 135300356
[3-[6-(Dimethylamino)-3-pyridinyl]quinoxalin-6-yl]-piperidin-1-ylmethanone
CID 135300407
N-[5-[2-oxo-1-[3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-9-yl]pyridin-2-yl]-2-phenylacetamide
CID 155249562
9-[6-(4-Methylpiperazin-1-yl)pyridin-3-yl]-1-[3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one
CID 155249689
2-amino-3-methyl-N-[(5R)-5,6,7,8-tetrahydroquinoxalin-5-yl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]quinoline-6-carboxamide
CID 156830625
1-[4-[1-(4-Fluorophenyl)-2-methylimidazo[4,5-c]quinolin-8-yl]phenyl]ethanone
CID 168270837
US8653087, III-107
CID 68035776
US8653087, III-297
CID 68036048

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 2-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone (CID 160782838) is 2-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 2-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 2-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone is O=C(Cc1ccc(-c2ccc3ncc(N4CCN(c5ccncc5)CC4)nc3c2)cc1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone?
The InChIKey is SAUPDFATGPLRLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26F3N5O/c33-32(34,35)26-3-1-2-25(19-26)30(41)18-22-4-6-23(7-5-22)24-8-9-28-29(20-24)38-31(21-37-28)40-16-14-39(15-17-40)27-10-12-36-13-11-27/h1-13,19-21H,14-18H2.
What are the key properties of 2-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone?
2-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone has a molecular weight of 553.59 g/mol, XLogP of 6.46, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 160782838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).