4-[7-(3-phenylphenyl)quinoxalin-2-yl]morpholine;4-[7-[2-(trifluoromethoxy)phenyl]quinoxalin-2-yl]morpholine

C43H37F3N6O3 — CID 67035225

IUPAC4-[7-(3-phenylphenyl)quinoxalin-2-yl]morpholine;4-[7-[2-(trifluoromethoxy)phenyl]quinoxalin-2-yl]morpholine
SMILESFC(F)(F)Oc1ccccc1-c1ccc2ncc(N3CCOCC3)nc2c1.c1ccc(-c2cccc(-c3ccc4ncc(N5CCOCC5)nc4c3)c2)cc1
InChIInChI=1S/C24H21N3O.C19H16F3N3O2/c1-2-5-18(6-3-1)19-7-4-8-20(15-19)21-9-10-22-23(16-21)26-24(17-25-22)27-11-13-28-14-12-27;20-19(21,22)27-17-4-2-1-3-14(17)13-5-6-15-16(11-13)24-18(12-23-15)25-7-9-26-10-8-25/h1-10,15-17H,11-14H2;1-6,11-12H,7-10H2
InChIKeyORIKUUXQJWGVDV-UHFFFAOYSA-N
MW742.80 g/mol
LogP8.83
Rot. Bonds6

About 4-[7-(3-phenylphenyl)quinoxalin-2-yl]morpholine;4-[7-[2-(trifluoromethoxy)phenyl]quinoxalin-2-yl]morpholine

4-[7-(3-phenylphenyl)quinoxalin-2-yl]morpholine;4-[7-[2-(trifluoromethoxy)phenyl]quinoxalin-2-yl]morpholine (PubChem CID 67035225) has the molecular formula C43H37F3N6O3 and a molecular weight of 742.80 g/mol. Its IUPAC name is 4-[7-(3-phenylphenyl)quinoxalin-2-yl]morpholine;4-[7-[2-(trifluoromethoxy)phenyl]quinoxalin-2-yl]morpholine.

Molecular Properties

Compound Name4-[7-(3-phenylphenyl)quinoxalin-2-yl]morpholine;4-[7-[2-(trifluoromethoxy)phenyl]quinoxalin-2-yl]morpholine
PubChem CID67035225
Molecular FormulaC43H37F3N6O3
Molecular Weight742.80 g/mol
Exact Mass742.29
IUPAC Name4-[7-(3-phenylphenyl)quinoxalin-2-yl]morpholine;4-[7-[2-(trifluoromethoxy)phenyl]quinoxalin-2-yl]morpholine
SMILESFC(F)(F)Oc1ccccc1-c1ccc2ncc(N3CCOCC3)nc2c1.c1ccc(-c2cccc(-c3ccc4ncc(N5CCOCC5)nc4c3)c2)cc1
InChIInChI=1S/C24H21N3O.C19H16F3N3O2/c1-2-5-18(6-3-1)19-7-4-8-20(15-19)21-9-10-22-23(16-21)26-24(17-25-22)27-11-13-28-14-12-27;20-19(21,22)27-17-4-2-1-3-14(17)13-5-6-15-16(11-13)24-18(12-23-15)25-7-9-26-10-8-25/h1-10,15-17H,11-14H2;1-6,11-12H,7-10H2
InChIKeyORIKUUXQJWGVDV-UHFFFAOYSA-N
XLogP8.83
TPSA85.73 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500742.80
LogP ≤ 58.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[7-(3-phenylphenyl)quinoxalin-2-yl]morpholine;4-[7-[2-(trifluoromethoxy)phenyl]quinoxalin-2-yl]morpholine?
The IUPAC name of 4-[7-(3-phenylphenyl)quinoxalin-2-yl]morpholine;4-[7-[2-(trifluoromethoxy)phenyl]quinoxalin-2-yl]morpholine (CID 67035225) is 4-[7-(3-phenylphenyl)quinoxalin-2-yl]morpholine;4-[7-[2-(trifluoromethoxy)phenyl]quinoxalin-2-yl]morpholine.
What is the SMILES notation for 4-[7-(3-phenylphenyl)quinoxalin-2-yl]morpholine;4-[7-[2-(trifluoromethoxy)phenyl]quinoxalin-2-yl]morpholine?
The canonical SMILES for 4-[7-(3-phenylphenyl)quinoxalin-2-yl]morpholine;4-[7-[2-(trifluoromethoxy)phenyl]quinoxalin-2-yl]morpholine is FC(F)(F)Oc1ccccc1-c1ccc2ncc(N3CCOCC3)nc2c1.c1ccc(-c2cccc(-c3ccc4ncc(N5CCOCC5)nc4c3)c2)cc1.
What is the InChIKey of 4-[7-(3-phenylphenyl)quinoxalin-2-yl]morpholine;4-[7-[2-(trifluoromethoxy)phenyl]quinoxalin-2-yl]morpholine?
The InChIKey is ORIKUUXQJWGVDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O.C19H16F3N3O2/c1-2-5-18(6-3-1)19-7-4-8-20(15-19)21-9-10-22-23(16-21)26-24(17-25-22)27-11-13-28-14-12-27;20-19(21,22)27-17-4-2-1-3-14(17)13-5-6-15-16(11-13)24-18(12-23-15)25-7-9-26-10-8-25/h1-10,15-17H,11-14H2;1-6,11-12H,7-10H2.
What are the key properties of 4-[7-(3-phenylphenyl)quinoxalin-2-yl]morpholine;4-[7-[2-(trifluoromethoxy)phenyl]quinoxalin-2-yl]morpholine?
4-[7-(3-phenylphenyl)quinoxalin-2-yl]morpholine;4-[7-[2-(trifluoromethoxy)phenyl]quinoxalin-2-yl]morpholine has a molecular weight of 742.80 g/mol, XLogP of 8.83, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-(3-phenylphenyl)quinoxalin-2-yl]morpholine;4-[7-[2-(trifluoromethoxy)phenyl]quinoxalin-2-yl]morpholine is sourced from PubChem (CID 67035225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).