1-[(2S)-1-[4-(3-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-3-(trifluoromethyl)quinoxalin-2-one

C23H23F3N4O3 — CID 92864964

IUPAC1-[(2S)-1-[4-(3-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-3-(trifluoromethyl)quinoxalin-2-one
SMILESCOc1cccc(N2CCN(C(=O)[C@H](C)n3c(=O)c(C(F)(F)F)nc4ccccc43)CC2)c1
InChIInChI=1S/C23H23F3N4O3/c1-15(30-19-9-4-3-8-18(19)27-20(22(30)32)23(24,25)26)21(31)29-12-10-28(11-13-29)16-6-5-7-17(14-16)33-2/h3-9,14-15H,10-13H2,1-2H3/t15-/m0/s1
InChIKeyRRRZZIADZNEWLI-HNNXBMFYSA-N
MW460.46 g/mol
LogP3.33
Rot. Bonds4

About 1-[(2S)-1-[4-(3-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-3-(trifluoromethyl)quinoxalin-2-one

1-[(2S)-1-[4-(3-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-3-(trifluoromethyl)quinoxalin-2-one (PubChem CID 92864964) has the molecular formula C23H23F3N4O3 and a molecular weight of 460.46 g/mol. Its IUPAC name is 1-[(2S)-1-[4-(3-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-3-(trifluoromethyl)quinoxalin-2-one.

Molecular Properties

Compound Name1-[(2S)-1-[4-(3-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-3-(trifluoromethyl)quinoxalin-2-one
PubChem CID92864964
Molecular FormulaC23H23F3N4O3
Molecular Weight460.46 g/mol
Exact Mass460.17
IUPAC Name1-[(2S)-1-[4-(3-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-3-(trifluoromethyl)quinoxalin-2-one
SMILESCOc1cccc(N2CCN(C(=O)[C@H](C)n3c(=O)c(C(F)(F)F)nc4ccccc43)CC2)c1
InChIInChI=1S/C23H23F3N4O3/c1-15(30-19-9-4-3-8-18(19)27-20(22(30)32)23(24,25)26)21(31)29-12-10-28(11-13-29)16-6-5-7-17(14-16)33-2/h3-9,14-15H,10-13H2,1-2H3/t15-/m0/s1
InChIKeyRRRZZIADZNEWLI-HNNXBMFYSA-N
XLogP3.33
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.46
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-[4-(3-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-6,7-dimethyl-3-(trifluoromethyl)quinoxalin-2-one
CID 46284830
1-[(2R)-1-[4-(4-chlorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-3-(trifluoromethyl)quinoxalin-2-one
CID 92864956
1-[4-[3-[1-(difluoromethyl)benzimidazol-2-yl]phenyl]piperazin-1-yl]-2-methylpropan-1-one
CID 68671268
(2R)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-[2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]propanamide
CID 92887557
3-[1-[4-(4-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-1,3-benzoxazol-2-one
CID 18142226
1-[(2S)-1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]-6,7-dimethyl-3-(trifluoromethyl)quinoxalin-2-one
CID 92865162
[4-(3-methoxyphenyl)piperazin-1-yl]-quinolin-2-ylmethanone
CID 2023384
2-methyl-1-[4-[3-(1-methylbenzimidazol-2-yl)phenyl]piperazin-1-yl]propan-1-one
CID 59568379
1-[(2S)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-1-oxopropan-2-yl]-6,7-dimethyl-3-(trifluoromethyl)quinoxalin-2-one
CID 92865157
5-[(2S)-1-[4-(3-chlorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-3-methylpyridazino[4,5-b]indol-4-one
CID 95059195
5-[1-[4-(3-chlorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]-3-methylpyridazino[4,5-b]indol-4-one
CID 53044001
4-amino-1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-methylbutan-1-one
CID 80542376

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-1-[4-(3-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-3-(trifluoromethyl)quinoxalin-2-one?
The IUPAC name of 1-[(2S)-1-[4-(3-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-3-(trifluoromethyl)quinoxalin-2-one (CID 92864964) is 1-[(2S)-1-[4-(3-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-3-(trifluoromethyl)quinoxalin-2-one.
What is the SMILES notation for 1-[(2S)-1-[4-(3-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-3-(trifluoromethyl)quinoxalin-2-one?
The canonical SMILES for 1-[(2S)-1-[4-(3-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-3-(trifluoromethyl)quinoxalin-2-one is COc1cccc(N2CCN(C(=O)[C@H](C)n3c(=O)c(C(F)(F)F)nc4ccccc43)CC2)c1.
What is the InChIKey of 1-[(2S)-1-[4-(3-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-3-(trifluoromethyl)quinoxalin-2-one?
The InChIKey is RRRZZIADZNEWLI-HNNXBMFYSA-N. The full InChI is InChI=1S/C23H23F3N4O3/c1-15(30-19-9-4-3-8-18(19)27-20(22(30)32)23(24,25)26)21(31)29-12-10-28(11-13-29)16-6-5-7-17(14-16)33-2/h3-9,14-15H,10-13H2,1-2H3/t15-/m0/s1.
What are the key properties of 1-[(2S)-1-[4-(3-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-3-(trifluoromethyl)quinoxalin-2-one?
1-[(2S)-1-[4-(3-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-3-(trifluoromethyl)quinoxalin-2-one has a molecular weight of 460.46 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-1-[4-(3-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-3-(trifluoromethyl)quinoxalin-2-one is sourced from PubChem (CID 92864964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).