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

C28H24F3N3O2 — CID 153102403

IUPAC1-[4-(3-morpholin-4-ylquinoxalin-6-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]propan-2-one
SMILESO=C(Cc1ccc(-c2ccc3ncc(N4CCOCC4)nc3c2)cc1)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C28H24F3N3O2/c29-28(30,31)23-8-3-20(4-9-23)16-24(35)15-19-1-5-21(6-2-19)22-7-10-25-26(17-22)33-27(18-32-25)34-11-13-36-14-12-34/h1-10,17-18H,11-16H2
InChIKeyVRIBCCHBIUXYQS-UHFFFAOYSA-N
MW491.51 g/mol
LogP5.51
Rot. Bonds6

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

1-[4-(3-morpholin-4-ylquinoxalin-6-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]propan-2-one (PubChem CID 153102403) has the molecular formula C28H24F3N3O2 and a molecular weight of 491.51 g/mol. Its IUPAC name is 1-[4-(3-morpholin-4-ylquinoxalin-6-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]propan-2-one.

Molecular Properties

Compound Name1-[4-(3-morpholin-4-ylquinoxalin-6-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]propan-2-one
PubChem CID153102403
Molecular FormulaC28H24F3N3O2
Molecular Weight491.51 g/mol
Exact Mass491.18
IUPAC Name1-[4-(3-morpholin-4-ylquinoxalin-6-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]propan-2-one
SMILESO=C(Cc1ccc(-c2ccc3ncc(N4CCOCC4)nc3c2)cc1)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C28H24F3N3O2/c29-28(30,31)23-8-3-20(4-9-23)16-24(35)15-19-1-5-21(6-2-19)22-7-10-25-26(17-22)33-27(18-32-25)34-11-13-36-14-12-34/h1-10,17-18H,11-16H2
InChIKeyVRIBCCHBIUXYQS-UHFFFAOYSA-N
XLogP5.51
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.51
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(3-morpholin-4-ylquinoxalin-6-yl)oxyphenyl]-3-[4-(trifluoromethyl)phenyl]propan-2-one
CID 149259043
1-cyclopropyl-3-[4-(3-morpholin-4-ylquinoxalin-6-yl)phenyl]propan-2-one
CID 158380673
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
1-cyclohexyl-2-[4-(3-morpholin-4-ylquinoxalin-6-yl)phenyl]ethanone
CID 159328346
(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
4-(3-morpholin-4-ylquinoxalin-6-yl)benzamide
CID 67036137
1-[3-(3-morpholin-4-ylquinoxalin-6-yl)phenyl]-2-phenylethanone
CID 157427262
1-pyridin-3-yl-3-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]propan-2-one
CID 152895241
1-[4-(dimethylamino)phenyl]-3-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]propan-2-one
CID 157464006
4-[7-(3,5-difluorophenyl)quinoxalin-2-yl]morpholine
CID 67035153
2-cyclopropyl-1-[3-(3-morpholin-4-ylquinoxalin-6-yl)phenyl]ethanone
CID 147372579

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-morpholin-4-ylquinoxalin-6-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]propan-2-one?
The IUPAC name of 1-[4-(3-morpholin-4-ylquinoxalin-6-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]propan-2-one (CID 153102403) is 1-[4-(3-morpholin-4-ylquinoxalin-6-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]propan-2-one.
What is the SMILES notation for 1-[4-(3-morpholin-4-ylquinoxalin-6-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]propan-2-one?
The canonical SMILES for 1-[4-(3-morpholin-4-ylquinoxalin-6-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]propan-2-one is O=C(Cc1ccc(-c2ccc3ncc(N4CCOCC4)nc3c2)cc1)Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-[4-(3-morpholin-4-ylquinoxalin-6-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]propan-2-one?
The InChIKey is VRIBCCHBIUXYQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24F3N3O2/c29-28(30,31)23-8-3-20(4-9-23)16-24(35)15-19-1-5-21(6-2-19)22-7-10-25-26(17-22)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)phenyl]-3-[4-(trifluoromethyl)phenyl]propan-2-one?
1-[4-(3-morpholin-4-ylquinoxalin-6-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]propan-2-one has a molecular weight of 491.51 g/mol, XLogP of 5.51, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-morpholin-4-ylquinoxalin-6-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]propan-2-one is sourced from PubChem (CID 153102403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).