1-[4-(3-morpholin-4-ylquinoxalin-6-yl)oxyphenyl]-3-[4-(trifluoromethyl)phenyl]propan-2-one

C28H24F3N3O3 — CID 149259043

IUPAC1-[4-(3-morpholin-4-ylquinoxalin-6-yl)oxyphenyl]-3-[4-(trifluoromethyl)phenyl]propan-2-one
SMILESO=C(Cc1ccc(Oc2ccc3ncc(N4CCOCC4)nc3c2)cc1)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C28H24F3N3O3/c29-28(30,31)21-5-1-19(2-6-21)15-22(35)16-20-3-7-23(8-4-20)37-24-9-10-25-26(17-24)33-27(18-32-25)34-11-13-36-14-12-34/h1-10,17-18H,11-16H2
InChIKeyXOWOFNXFJYAGRX-UHFFFAOYSA-N
MW507.51 g/mol
LogP5.63
Rot. Bonds7

About 1-[4-(3-morpholin-4-ylquinoxalin-6-yl)oxyphenyl]-3-[4-(trifluoromethyl)phenyl]propan-2-one

1-[4-(3-morpholin-4-ylquinoxalin-6-yl)oxyphenyl]-3-[4-(trifluoromethyl)phenyl]propan-2-one (PubChem CID 149259043) has the molecular formula C28H24F3N3O3 and a molecular weight of 507.51 g/mol. Its IUPAC name is 1-[4-(3-morpholin-4-ylquinoxalin-6-yl)oxyphenyl]-3-[4-(trifluoromethyl)phenyl]propan-2-one.

Molecular Properties

Compound Name1-[4-(3-morpholin-4-ylquinoxalin-6-yl)oxyphenyl]-3-[4-(trifluoromethyl)phenyl]propan-2-one
PubChem CID149259043
Molecular FormulaC28H24F3N3O3
Molecular Weight507.51 g/mol
Exact Mass507.18
IUPAC Name1-[4-(3-morpholin-4-ylquinoxalin-6-yl)oxyphenyl]-3-[4-(trifluoromethyl)phenyl]propan-2-one
SMILESO=C(Cc1ccc(Oc2ccc3ncc(N4CCOCC4)nc3c2)cc1)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C28H24F3N3O3/c29-28(30,31)21-5-1-19(2-6-21)15-22(35)16-20-3-7-23(8-4-20)37-24-9-10-25-26(17-24)33-27(18-32-25)34-11-13-36-14-12-34/h1-10,17-18H,11-16H2
InChIKeyXOWOFNXFJYAGRX-UHFFFAOYSA-N
XLogP5.63
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.51
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[4-(3-morpholin-4-ylquinoxalin-6-yl)oxyphenyl]-3-[4-(trifluoromethyl)phenyl]propan-2-one with MolForge

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Related Compounds

1-[4-(3-morpholin-4-ylquinoxalin-6-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]propan-2-one
CID 153102403
(4-aminophenyl)-(3-morpholin-4-ylquinoxalin-6-yl)methanone;1-[4-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]-3-[4-(trifluoromethyl)phenyl]propan-2-one;[4-(trifluoromethyl)phenyl] cyanate
CID 159825014
1-cyclopropyl-3-[4-(3-morpholin-4-ylquinoxalin-6-yl)phenyl]propan-2-one
CID 158380673
1-[3-(trifluoromethyl)phenyl]-3-[2,4,5-trifluoro-3-(3-morpholin-4-ylquinoxalin-6-yl)oxyphenyl]urea
CID 71678839
N-[4-(3-morpholin-4-ylquinoxalin-6-yl)phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 67035538
4-[7-[3-(trifluoromethyl)phenyl]quinoxalin-2-yl]morpholine
CID 51042039
N-[3-fluoro-5-(3-morpholin-4-ylquinoxalin-6-yl)oxyphenyl]propane-1-sulfonamide
CID 71678497
1-cyclohexyl-2-[4-(3-morpholin-4-ylquinoxalin-6-yl)phenyl]ethanone
CID 159328346
bis(2-morpholin-4-ylquinoxalin-6-yl)methanone
CID 151491691
1-[3-(3-morpholin-4-ylquinoxalin-6-yl)phenyl]-2-phenylethanone
CID 157427262
1-[3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 71532895
1-[4-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 90134872

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-morpholin-4-ylquinoxalin-6-yl)oxyphenyl]-3-[4-(trifluoromethyl)phenyl]propan-2-one?
The IUPAC name of 1-[4-(3-morpholin-4-ylquinoxalin-6-yl)oxyphenyl]-3-[4-(trifluoromethyl)phenyl]propan-2-one (CID 149259043) is 1-[4-(3-morpholin-4-ylquinoxalin-6-yl)oxyphenyl]-3-[4-(trifluoromethyl)phenyl]propan-2-one.
What is the SMILES notation for 1-[4-(3-morpholin-4-ylquinoxalin-6-yl)oxyphenyl]-3-[4-(trifluoromethyl)phenyl]propan-2-one?
The canonical SMILES for 1-[4-(3-morpholin-4-ylquinoxalin-6-yl)oxyphenyl]-3-[4-(trifluoromethyl)phenyl]propan-2-one is O=C(Cc1ccc(Oc2ccc3ncc(N4CCOCC4)nc3c2)cc1)Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-[4-(3-morpholin-4-ylquinoxalin-6-yl)oxyphenyl]-3-[4-(trifluoromethyl)phenyl]propan-2-one?
The InChIKey is XOWOFNXFJYAGRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24F3N3O3/c29-28(30,31)21-5-1-19(2-6-21)15-22(35)16-20-3-7-23(8-4-20)37-24-9-10-25-26(17-24)33-27(18-32-25)34-11-13-36-14-12-34/h1-10,17-18H,11-16H2.
What are the key properties of 1-[4-(3-morpholin-4-ylquinoxalin-6-yl)oxyphenyl]-3-[4-(trifluoromethyl)phenyl]propan-2-one?
1-[4-(3-morpholin-4-ylquinoxalin-6-yl)oxyphenyl]-3-[4-(trifluoromethyl)phenyl]propan-2-one has a molecular weight of 507.51 g/mol, XLogP of 5.63, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-morpholin-4-ylquinoxalin-6-yl)oxyphenyl]-3-[4-(trifluoromethyl)phenyl]propan-2-one is sourced from PubChem (CID 149259043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).