N-[2-hydroxy-2-[3-methyl-2-oxo-7-[[3-(trifluoromethyl)phenyl]methylamino]quinoxalin-1-yl]ethyl]acetamide

C21H21F3N4O3 — CID 24829556

IUPACN-[2-hydroxy-2-[3-methyl-2-oxo-7-[[3-(trifluoromethyl)phenyl]methylamino]quinoxalin-1-yl]ethyl]acetamide
SMILESCC(=O)NCC(O)n1c(=O)c(C)nc2ccc(NCc3cccc(C(F)(F)F)c3)cc21
InChIInChI=1S/C21H21F3N4O3/c1-12-20(31)28(19(30)11-25-13(2)29)18-9-16(6-7-17(18)27-12)26-10-14-4-3-5-15(8-14)21(22,23)24/h3-9,19,26,30H,10-11H2,1-2H3,(H,25,29)
InChIKeyIMCZWVJQPKXHAT-UHFFFAOYSA-N
MW434.42 g/mol
LogP2.96
Rot. Bonds6

About N-[2-hydroxy-2-[3-methyl-2-oxo-7-[[3-(trifluoromethyl)phenyl]methylamino]quinoxalin-1-yl]ethyl]acetamide

N-[2-hydroxy-2-[3-methyl-2-oxo-7-[[3-(trifluoromethyl)phenyl]methylamino]quinoxalin-1-yl]ethyl]acetamide (PubChem CID 24829556) has the molecular formula C21H21F3N4O3 and a molecular weight of 434.42 g/mol. Its IUPAC name is N-[2-hydroxy-2-[3-methyl-2-oxo-7-[[3-(trifluoromethyl)phenyl]methylamino]quinoxalin-1-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-[3-methyl-2-oxo-7-[[3-(trifluoromethyl)phenyl]methylamino]quinoxalin-1-yl]ethyl]acetamide
PubChem CID24829556
Molecular FormulaC21H21F3N4O3
Molecular Weight434.42 g/mol
Exact Mass434.16
IUPAC NameN-[2-hydroxy-2-[3-methyl-2-oxo-7-[[3-(trifluoromethyl)phenyl]methylamino]quinoxalin-1-yl]ethyl]acetamide
SMILESCC(=O)NCC(O)n1c(=O)c(C)nc2ccc(NCc3cccc(C(F)(F)F)c3)cc21
InChIInChI=1S/C21H21F3N4O3/c1-12-20(31)28(19(30)11-25-13(2)29)18-9-16(6-7-17(18)27-12)26-10-14-4-3-5-15(8-14)21(22,23)24/h3-9,19,26,30H,10-11H2,1-2H3,(H,25,29)
InChIKeyIMCZWVJQPKXHAT-UHFFFAOYSA-N
XLogP2.96
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.42
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 28684436
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Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-[3-methyl-2-oxo-7-[[3-(trifluoromethyl)phenyl]methylamino]quinoxalin-1-yl]ethyl]acetamide?
The IUPAC name of N-[2-hydroxy-2-[3-methyl-2-oxo-7-[[3-(trifluoromethyl)phenyl]methylamino]quinoxalin-1-yl]ethyl]acetamide (CID 24829556) is N-[2-hydroxy-2-[3-methyl-2-oxo-7-[[3-(trifluoromethyl)phenyl]methylamino]quinoxalin-1-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-hydroxy-2-[3-methyl-2-oxo-7-[[3-(trifluoromethyl)phenyl]methylamino]quinoxalin-1-yl]ethyl]acetamide?
The canonical SMILES for N-[2-hydroxy-2-[3-methyl-2-oxo-7-[[3-(trifluoromethyl)phenyl]methylamino]quinoxalin-1-yl]ethyl]acetamide is CC(=O)NCC(O)n1c(=O)c(C)nc2ccc(NCc3cccc(C(F)(F)F)c3)cc21.
What is the InChIKey of N-[2-hydroxy-2-[3-methyl-2-oxo-7-[[3-(trifluoromethyl)phenyl]methylamino]quinoxalin-1-yl]ethyl]acetamide?
The InChIKey is IMCZWVJQPKXHAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N4O3/c1-12-20(31)28(19(30)11-25-13(2)29)18-9-16(6-7-17(18)27-12)26-10-14-4-3-5-15(8-14)21(22,23)24/h3-9,19,26,30H,10-11H2,1-2H3,(H,25,29).
What are the key properties of N-[2-hydroxy-2-[3-methyl-2-oxo-7-[[3-(trifluoromethyl)phenyl]methylamino]quinoxalin-1-yl]ethyl]acetamide?
N-[2-hydroxy-2-[3-methyl-2-oxo-7-[[3-(trifluoromethyl)phenyl]methylamino]quinoxalin-1-yl]ethyl]acetamide has a molecular weight of 434.42 g/mol, XLogP of 2.96, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-[3-methyl-2-oxo-7-[[3-(trifluoromethyl)phenyl]methylamino]quinoxalin-1-yl]ethyl]acetamide is sourced from PubChem (CID 24829556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).