N-[2-[3-(4-methoxyphenyl)-2-oxo-7-[[4-(trifluoromethyl)-2-pyridinyl]methylamino]quinoxalin-1-yl]ethyl]acetamide

C26H24F3N5O3 — CID 44573583

IUPACN-[2-[3-(4-methoxyphenyl)-2-oxo-7-[[4-(trifluoromethyl)-2-pyridinyl]methylamino]quinoxalin-1-yl]ethyl]acetamide
SMILESCOc1ccc(-c2nc3ccc(NCc4cc(C(F)(F)F)ccn4)cc3n(CCNC(C)=O)c2=O)cc1
InChIInChI=1S/C26H24F3N5O3/c1-16(35)30-11-12-34-23-14-19(32-15-20-13-18(9-10-31-20)26(27,28)29)5-8-22(23)33-24(25(34)36)17-3-6-21(37-2)7-4-17/h3-10,13-14,32H,11-12,15H2,1-2H3,(H,30,35)
InChIKeyHUYPGJIKHOQUMM-UHFFFAOYSA-N
MW511.50 g/mol
LogP4.23
Rot. Bonds8

About N-[2-[3-(4-methoxyphenyl)-2-oxo-7-[[4-(trifluoromethyl)-2-pyridinyl]methylamino]quinoxalin-1-yl]ethyl]acetamide

N-[2-[3-(4-methoxyphenyl)-2-oxo-7-[[4-(trifluoromethyl)-2-pyridinyl]methylamino]quinoxalin-1-yl]ethyl]acetamide (PubChem CID 44573583) has the molecular formula C26H24F3N5O3 and a molecular weight of 511.50 g/mol. Its IUPAC name is N-[2-[3-(4-methoxyphenyl)-2-oxo-7-[[4-(trifluoromethyl)-2-pyridinyl]methylamino]quinoxalin-1-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[3-(4-methoxyphenyl)-2-oxo-7-[[4-(trifluoromethyl)-2-pyridinyl]methylamino]quinoxalin-1-yl]ethyl]acetamide
PubChem CID44573583
Molecular FormulaC26H24F3N5O3
Molecular Weight511.50 g/mol
Exact Mass511.18
IUPAC NameN-[2-[3-(4-methoxyphenyl)-2-oxo-7-[[4-(trifluoromethyl)-2-pyridinyl]methylamino]quinoxalin-1-yl]ethyl]acetamide
SMILESCOc1ccc(-c2nc3ccc(NCc4cc(C(F)(F)F)ccn4)cc3n(CCNC(C)=O)c2=O)cc1
InChIInChI=1S/C26H24F3N5O3/c1-16(35)30-11-12-34-23-14-19(32-15-20-13-18(9-10-31-20)26(27,28)29)5-8-22(23)33-24(25(34)36)17-3-6-21(37-2)7-4-17/h3-10,13-14,32H,11-12,15H2,1-2H3,(H,30,35)
InChIKeyHUYPGJIKHOQUMM-UHFFFAOYSA-N
XLogP4.23
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.50
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[2-[3-(4-methoxyphenyl)-2-oxo-7-[[4-(trifluoromethyl)-2-pyridinyl]methylamino]quinoxalin-1-yl]ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-methoxyphenyl)-N-(pyridin-3-yl)acetamide
CID 799060
N-{2-(4-Methoxy-phenyl)-1-[(pyridin-3-ylmethyl)-carbamoyl]-vinyl}-benzamide
CID 5442665
3-(4-methoxyphenyl)-N-quinolin-3-ylpropanamide
CID 5299704
N-(2-(3-(4-methoxyphenyl)-2-oxo-7-(3-(trifluoromethyl)benzylamino)quinoxalin-1(2H)-yl)ethyl)acetamide
CID 24831991
4-[2-(4-Methoxyphenyl)phenyl]-N-(4-pyridinylmethyl)-1-piperazinehexanamide
CID 71061887
4-[2-(4-Methoxyphenyl)phenyl]-N-(2-pyridinylmethyl)-1-piperazinehexanamide
CID 71062035
4-[2-(4-Methoxyphenyl) phenyl]-N-(3-pyridinylmethyl)-1-piperazinehexanamide
CID 71062123
N-[(6-fluoro-3-pyridinyl)methyl]-6-[4-[2-(4-methoxyphenyl)phenyl]piperazin-1-yl]hexanamide
CID 76284724
N-{2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl}cyclohexanecarboxamide
CID 3240844
4-Methoxy-N-[2-(4-phenylpiperazin-1-YL)-2-(pyridin-3-YL)ethyl]benzamide
CID 3503407
2-[acetyl(4-methylphenyl)amino]-N-(4-methoxyphenyl)-2-pyridin-2-ylacetamide
CID 6618885
1-(2,6-Difluoro-benzyl)-5-(4-methoxy-phenyl)-6-methyl-3-{2-[methyl-(2-pyridin-2-yl-ethyl)-amino]-ethyl}-1H-pyrimidine-2,4-dione
CID 10940289

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(4-methoxyphenyl)-2-oxo-7-[[4-(trifluoromethyl)-2-pyridinyl]methylamino]quinoxalin-1-yl]ethyl]acetamide?
The IUPAC name of N-[2-[3-(4-methoxyphenyl)-2-oxo-7-[[4-(trifluoromethyl)-2-pyridinyl]methylamino]quinoxalin-1-yl]ethyl]acetamide (CID 44573583) is N-[2-[3-(4-methoxyphenyl)-2-oxo-7-[[4-(trifluoromethyl)-2-pyridinyl]methylamino]quinoxalin-1-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[3-(4-methoxyphenyl)-2-oxo-7-[[4-(trifluoromethyl)-2-pyridinyl]methylamino]quinoxalin-1-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[3-(4-methoxyphenyl)-2-oxo-7-[[4-(trifluoromethyl)-2-pyridinyl]methylamino]quinoxalin-1-yl]ethyl]acetamide is COc1ccc(-c2nc3ccc(NCc4cc(C(F)(F)F)ccn4)cc3n(CCNC(C)=O)c2=O)cc1.
What is the InChIKey of N-[2-[3-(4-methoxyphenyl)-2-oxo-7-[[4-(trifluoromethyl)-2-pyridinyl]methylamino]quinoxalin-1-yl]ethyl]acetamide?
The InChIKey is HUYPGJIKHOQUMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F3N5O3/c1-16(35)30-11-12-34-23-14-19(32-15-20-13-18(9-10-31-20)26(27,28)29)5-8-22(23)33-24(25(34)36)17-3-6-21(37-2)7-4-17/h3-10,13-14,32H,11-12,15H2,1-2H3,(H,30,35).
What are the key properties of N-[2-[3-(4-methoxyphenyl)-2-oxo-7-[[4-(trifluoromethyl)-2-pyridinyl]methylamino]quinoxalin-1-yl]ethyl]acetamide?
N-[2-[3-(4-methoxyphenyl)-2-oxo-7-[[4-(trifluoromethyl)-2-pyridinyl]methylamino]quinoxalin-1-yl]ethyl]acetamide has a molecular weight of 511.50 g/mol, XLogP of 4.23, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(4-methoxyphenyl)-2-oxo-7-[[4-(trifluoromethyl)-2-pyridinyl]methylamino]quinoxalin-1-yl]ethyl]acetamide is sourced from PubChem (CID 44573583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).