1-[1-[4-(3-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-6,7-dimethyl-3-(trifluoromethyl)quinoxalin-2-one

C25H27F3N4O3 — CID 46284830

IUPAC1-[1-[4-(3-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-6,7-dimethyl-3-(trifluoromethyl)quinoxalin-2-one
SMILESCOc1cccc(N2CCN(C(=O)C(C)n3c(=O)c(C(F)(F)F)nc4cc(C)c(C)cc43)CC2)c1
InChIInChI=1S/C25H27F3N4O3/c1-15-12-20-21(13-16(15)2)32(24(34)22(29-20)25(26,27)28)17(3)23(33)31-10-8-30(9-11-31)18-6-5-7-19(14-18)35-4/h5-7,12-14,17H,8-11H2,1-4H3
InChIKeyWAZKONFIUWCJFK-UHFFFAOYSA-N
MW488.51 g/mol
LogP3.95
Rot. Bonds4

About 1-[1-[4-(3-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-6,7-dimethyl-3-(trifluoromethyl)quinoxalin-2-one

1-[1-[4-(3-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-6,7-dimethyl-3-(trifluoromethyl)quinoxalin-2-one (PubChem CID 46284830) has the molecular formula C25H27F3N4O3 and a molecular weight of 488.51 g/mol. Its IUPAC name is 1-[1-[4-(3-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-6,7-dimethyl-3-(trifluoromethyl)quinoxalin-2-one.

Molecular Properties

Compound Name1-[1-[4-(3-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-6,7-dimethyl-3-(trifluoromethyl)quinoxalin-2-one
PubChem CID46284830
Molecular FormulaC25H27F3N4O3
Molecular Weight488.51 g/mol
Exact Mass488.20
IUPAC Name1-[1-[4-(3-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-6,7-dimethyl-3-(trifluoromethyl)quinoxalin-2-one
SMILESCOc1cccc(N2CCN(C(=O)C(C)n3c(=O)c(C(F)(F)F)nc4cc(C)c(C)cc43)CC2)c1
InChIInChI=1S/C25H27F3N4O3/c1-15-12-20-21(13-16(15)2)32(24(34)22(29-20)25(26,27)28)17(3)23(33)31-10-8-30(9-11-31)18-6-5-7-19(14-18)35-4/h5-7,12-14,17H,8-11H2,1-4H3
InChIKeyWAZKONFIUWCJFK-UHFFFAOYSA-N
XLogP3.95
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.51
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(2S)-1-[4-(3-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-3-(trifluoromethyl)quinoxalin-2-one
CID 92864964
1-[(2S)-1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]-6,7-dimethyl-3-(trifluoromethyl)quinoxalin-2-one
CID 92865162
(2S)-N-[(2-chlorophenyl)methyl]-2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]propanamide
CID 92865089
(3,4-dimethylphenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 51143320
(2S)-2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]-N-(3-propan-2-yloxypropyl)propanamide
CID 92865168
2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]-N-(2,3,5,6-tetrafluorophenyl)propanamide
CID 50760727
4-[2-[4-(3-methoxyphenyl)piperazin-1-yl]propanoyl]-7-(trifluoromethyl)-1,3-dihydroquinoxalin-2-one
CID 46561433
3-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-8-methylquinazolin-4-one
CID 38599623
4-amino-1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-methylbutan-1-one
CID 80542376
(2S)-2-(4-methoxyphenoxy)-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one
CID 41479279
1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-methylbutan-1-one
CID 78768997
4-fluoro-N-[(2S)-1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]benzamide
CID 9268556

Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-(3-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-6,7-dimethyl-3-(trifluoromethyl)quinoxalin-2-one?
The IUPAC name of 1-[1-[4-(3-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-6,7-dimethyl-3-(trifluoromethyl)quinoxalin-2-one (CID 46284830) is 1-[1-[4-(3-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-6,7-dimethyl-3-(trifluoromethyl)quinoxalin-2-one.
What is the SMILES notation for 1-[1-[4-(3-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-6,7-dimethyl-3-(trifluoromethyl)quinoxalin-2-one?
The canonical SMILES for 1-[1-[4-(3-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-6,7-dimethyl-3-(trifluoromethyl)quinoxalin-2-one is COc1cccc(N2CCN(C(=O)C(C)n3c(=O)c(C(F)(F)F)nc4cc(C)c(C)cc43)CC2)c1.
What is the InChIKey of 1-[1-[4-(3-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-6,7-dimethyl-3-(trifluoromethyl)quinoxalin-2-one?
The InChIKey is WAZKONFIUWCJFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F3N4O3/c1-15-12-20-21(13-16(15)2)32(24(34)22(29-20)25(26,27)28)17(3)23(33)31-10-8-30(9-11-31)18-6-5-7-19(14-18)35-4/h5-7,12-14,17H,8-11H2,1-4H3.
What are the key properties of 1-[1-[4-(3-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-6,7-dimethyl-3-(trifluoromethyl)quinoxalin-2-one?
1-[1-[4-(3-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-6,7-dimethyl-3-(trifluoromethyl)quinoxalin-2-one has a molecular weight of 488.51 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-(3-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-6,7-dimethyl-3-(trifluoromethyl)quinoxalin-2-one is sourced from PubChem (CID 46284830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).