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

C25H22F3N5O2 — CID 24831992

IUPACN-[2-[2-oxo-3-pyridin-3-yl-7-[[3-(trifluoromethyl)phenyl]methylamino]quinoxalin-1-yl]ethyl]acetamide
SMILESCC(=O)NCCn1c(=O)c(-c2cccnc2)nc2ccc(NCc3cccc(C(F)(F)F)c3)cc21
InChIInChI=1S/C25H22F3N5O2/c1-16(34)30-10-11-33-22-13-20(31-14-17-4-2-6-19(12-17)25(26,27)28)7-8-21(22)32-23(24(33)35)18-5-3-9-29-15-18/h2-9,12-13,15,31H,10-11,14H2,1H3,(H,30,34)
InChIKeyVJMXZZFAFYCUBI-UHFFFAOYSA-N
MW481.48 g/mol
LogP4.23
Rot. Bonds7

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

N-[2-[2-oxo-3-pyridin-3-yl-7-[[3-(trifluoromethyl)phenyl]methylamino]quinoxalin-1-yl]ethyl]acetamide (PubChem CID 24831992) has the molecular formula C25H22F3N5O2 and a molecular weight of 481.48 g/mol. Its IUPAC name is N-[2-[2-oxo-3-pyridin-3-yl-7-[[3-(trifluoromethyl)phenyl]methylamino]quinoxalin-1-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[2-oxo-3-pyridin-3-yl-7-[[3-(trifluoromethyl)phenyl]methylamino]quinoxalin-1-yl]ethyl]acetamide
PubChem CID24831992
Molecular FormulaC25H22F3N5O2
Molecular Weight481.48 g/mol
Exact Mass481.17
IUPAC NameN-[2-[2-oxo-3-pyridin-3-yl-7-[[3-(trifluoromethyl)phenyl]methylamino]quinoxalin-1-yl]ethyl]acetamide
SMILESCC(=O)NCCn1c(=O)c(-c2cccnc2)nc2ccc(NCc3cccc(C(F)(F)F)c3)cc21
InChIInChI=1S/C25H22F3N5O2/c1-16(34)30-10-11-33-22-13-20(31-14-17-4-2-6-19(12-17)25(26,27)28)7-8-21(22)32-23(24(33)35)18-5-3-9-29-15-18/h2-9,12-13,15,31H,10-11,14H2,1H3,(H,30,34)
InChIKeyVJMXZZFAFYCUBI-UHFFFAOYSA-N
XLogP4.23
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.48
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-methyl-2-oxo-7-[[3-(trifluoromethyl)phenyl]methylamino]quinoxalin-1-yl]ethylurea
CID 45482159
N-[2-hydroxy-2-[3-methyl-2-oxo-7-[[3-(trifluoromethyl)phenyl]methylamino]quinoxalin-1-yl]ethyl]acetamide
CID 24829556
N-[(2-pyridin-3-yl-3-pyridinyl)methyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 91817167
N-[2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl]acetamide
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CID 24830551
3-(1-methylpyrazol-4-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]quinolin-6-amine
CID 42609197
2-(pyridin-3-ylmethylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]quinoline-4-carboxamide
CID 117090190
1-[3-[4-[[3-(trifluoromethyl)phenyl]methylamino]pyrimidin-2-yl]phenyl]ethanone
CID 117086963
3-[[3-(trifluoromethyl)anilino]methyl]benzoic acid
CID 82095988
N-(2-piperidin-1-ylethyl)-2-[4-[[3-(trifluoromethyl)phenyl]methylamino]phenyl]acetamide
CID 42852643
(2S,3S,4R,5R)-3,4-dihydroxy-N-methyl-5-[2-pyridin-3-yl-6-[[3-(trifluoromethyl)phenyl]methylamino]purin-9-yl]oxolane-2-carboxamide
CID 164562543
3-[[3-(trifluoromethyl)anilino]methyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-oxo-3-pyridin-3-yl-7-[[3-(trifluoromethyl)phenyl]methylamino]quinoxalin-1-yl]ethyl]acetamide?
The IUPAC name of N-[2-[2-oxo-3-pyridin-3-yl-7-[[3-(trifluoromethyl)phenyl]methylamino]quinoxalin-1-yl]ethyl]acetamide (CID 24831992) is N-[2-[2-oxo-3-pyridin-3-yl-7-[[3-(trifluoromethyl)phenyl]methylamino]quinoxalin-1-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[2-oxo-3-pyridin-3-yl-7-[[3-(trifluoromethyl)phenyl]methylamino]quinoxalin-1-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[2-oxo-3-pyridin-3-yl-7-[[3-(trifluoromethyl)phenyl]methylamino]quinoxalin-1-yl]ethyl]acetamide is CC(=O)NCCn1c(=O)c(-c2cccnc2)nc2ccc(NCc3cccc(C(F)(F)F)c3)cc21.
What is the InChIKey of N-[2-[2-oxo-3-pyridin-3-yl-7-[[3-(trifluoromethyl)phenyl]methylamino]quinoxalin-1-yl]ethyl]acetamide?
The InChIKey is VJMXZZFAFYCUBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F3N5O2/c1-16(34)30-10-11-33-22-13-20(31-14-17-4-2-6-19(12-17)25(26,27)28)7-8-21(22)32-23(24(33)35)18-5-3-9-29-15-18/h2-9,12-13,15,31H,10-11,14H2,1H3,(H,30,34).
What are the key properties of N-[2-[2-oxo-3-pyridin-3-yl-7-[[3-(trifluoromethyl)phenyl]methylamino]quinoxalin-1-yl]ethyl]acetamide?
N-[2-[2-oxo-3-pyridin-3-yl-7-[[3-(trifluoromethyl)phenyl]methylamino]quinoxalin-1-yl]ethyl]acetamide has a molecular weight of 481.48 g/mol, XLogP of 4.23, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-oxo-3-pyridin-3-yl-7-[[3-(trifluoromethyl)phenyl]methylamino]quinoxalin-1-yl]ethyl]acetamide is sourced from PubChem (CID 24831992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).