2-[2-fluoro-4-(6-hydroxy-7-methoxyquinoxalin-2-yl)phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide

C24H18F4N4O4 — CID 137001513

IUPAC2-[2-fluoro-4-(6-hydroxy-7-methoxyquinoxalin-2-yl)phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide
SMILESCOc1cc2nc(-c3ccc(CC(=O)Nc4cc(C5(C(F)(F)F)CC5)on4)c(F)c3)cnc2cc1O
InChIInChI=1S/C24H18F4N4O4/c1-35-19-9-16-15(8-18(19)33)29-11-17(30-16)13-3-2-12(14(25)6-13)7-22(34)31-21-10-20(36-32-21)23(4-5-23)24(26,27)28/h2-3,6,8-11,33H,4-5,7H2,1H3,(H,31,32,34)
InChIKeyQOUHDOVJGGORJI-UHFFFAOYSA-N
MW502.42 g/mol
LogP4.91
Rot. Bonds6

About 2-[2-fluoro-4-(6-hydroxy-7-methoxyquinoxalin-2-yl)phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide

2-[2-fluoro-4-(6-hydroxy-7-methoxyquinoxalin-2-yl)phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide (PubChem CID 137001513) has the molecular formula C24H18F4N4O4 and a molecular weight of 502.42 g/mol. Its IUPAC name is 2-[2-fluoro-4-(6-hydroxy-7-methoxyquinoxalin-2-yl)phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide.

Molecular Properties

Compound Name2-[2-fluoro-4-(6-hydroxy-7-methoxyquinoxalin-2-yl)phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide
PubChem CID137001513
Molecular FormulaC24H18F4N4O4
Molecular Weight502.42 g/mol
Exact Mass502.13
IUPAC Name2-[2-fluoro-4-(6-hydroxy-7-methoxyquinoxalin-2-yl)phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide
SMILESCOc1cc2nc(-c3ccc(CC(=O)Nc4cc(C5(C(F)(F)F)CC5)on4)c(F)c3)cnc2cc1O
InChIInChI=1S/C24H18F4N4O4/c1-35-19-9-16-15(8-18(19)33)29-11-17(30-16)13-3-2-12(14(25)6-13)7-22(34)31-21-10-20(36-32-21)23(4-5-23)24(26,27)28/h2-3,6,8-11,33H,4-5,7H2,1H3,(H,31,32,34)
InChIKeyQOUHDOVJGGORJI-UHFFFAOYSA-N
XLogP4.91
TPSA110.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.42
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-4-(6-hydroxy-7-methoxyquinoxalin-2-yl)phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide?
The IUPAC name of 2-[2-fluoro-4-(6-hydroxy-7-methoxyquinoxalin-2-yl)phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide (CID 137001513) is 2-[2-fluoro-4-(6-hydroxy-7-methoxyquinoxalin-2-yl)phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide.
What is the SMILES notation for 2-[2-fluoro-4-(6-hydroxy-7-methoxyquinoxalin-2-yl)phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide?
The canonical SMILES for 2-[2-fluoro-4-(6-hydroxy-7-methoxyquinoxalin-2-yl)phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide is COc1cc2nc(-c3ccc(CC(=O)Nc4cc(C5(C(F)(F)F)CC5)on4)c(F)c3)cnc2cc1O.
What is the InChIKey of 2-[2-fluoro-4-(6-hydroxy-7-methoxyquinoxalin-2-yl)phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide?
The InChIKey is QOUHDOVJGGORJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F4N4O4/c1-35-19-9-16-15(8-18(19)33)29-11-17(30-16)13-3-2-12(14(25)6-13)7-22(34)31-21-10-20(36-32-21)23(4-5-23)24(26,27)28/h2-3,6,8-11,33H,4-5,7H2,1H3,(H,31,32,34).
What are the key properties of 2-[2-fluoro-4-(6-hydroxy-7-methoxyquinoxalin-2-yl)phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide?
2-[2-fluoro-4-(6-hydroxy-7-methoxyquinoxalin-2-yl)phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide has a molecular weight of 502.42 g/mol, XLogP of 4.91, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-4-(6-hydroxy-7-methoxyquinoxalin-2-yl)phenyl]-N-[5-[1-(trifluoromethyl)cyclopropyl]-1,2-oxazol-3-yl]acetamide is sourced from PubChem (CID 137001513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).