4-[7-[3-(trifluoromethyl)phenyl]quinoxalin-2-yl]morpholine

C19H16F3N3O — CID 51042039

IUPAC4-[7-[3-(trifluoromethyl)phenyl]quinoxalin-2-yl]morpholine
SMILESFC(F)(F)c1cccc(-c2ccc3ncc(N4CCOCC4)nc3c2)c1
InChIInChI=1S/C19H16F3N3O/c20-19(21,22)15-3-1-2-13(10-15)14-4-5-16-17(11-14)24-18(12-23-16)25-6-8-26-9-7-25/h1-5,10-12H,6-9H2
InChIKeyVHHOCVKXDGERFA-UHFFFAOYSA-N
MW359.35 g/mol
LogP4.15
Rot. Bonds2

About 4-[7-[3-(trifluoromethyl)phenyl]quinoxalin-2-yl]morpholine

4-[7-[3-(trifluoromethyl)phenyl]quinoxalin-2-yl]morpholine (PubChem CID 51042039) has the molecular formula C19H16F3N3O and a molecular weight of 359.35 g/mol. Its IUPAC name is 4-[7-[3-(trifluoromethyl)phenyl]quinoxalin-2-yl]morpholine.

Molecular Properties

Compound Name4-[7-[3-(trifluoromethyl)phenyl]quinoxalin-2-yl]morpholine
PubChem CID51042039
Molecular FormulaC19H16F3N3O
Molecular Weight359.35 g/mol
Exact Mass359.12
IUPAC Name4-[7-[3-(trifluoromethyl)phenyl]quinoxalin-2-yl]morpholine
SMILESFC(F)(F)c1cccc(-c2ccc3ncc(N4CCOCC4)nc3c2)c1
InChIInChI=1S/C19H16F3N3O/c20-19(21,22)15-3-1-2-13(10-15)14-4-5-16-17(11-14)24-18(12-23-16)25-6-8-26-9-7-25/h1-5,10-12H,6-9H2
InChIKeyVHHOCVKXDGERFA-UHFFFAOYSA-N
XLogP4.15
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.35
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(3-morpholin-4-ylquinoxalin-6-yl)phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 67035538
4-[7-(3,5-difluorophenyl)quinoxalin-2-yl]morpholine
CID 67035153
1-[4-(3-morpholin-4-ylquinoxalin-6-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]propan-2-one
CID 153102403
4-[7-(3-nitrophenyl)quinoxalin-2-yl]morpholine
CID 51042260
4-[7-(3-propan-2-yloxyphenyl)quinoxalin-2-yl]morpholine
CID 51039662
N,N-dimethyl-3-(3-morpholin-4-ylquinoxalin-6-yl)benzenesulfonamide
CID 67035240
1-[3-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 71532895
4-[7-(furan-2-yl)quinoxalin-2-yl]morpholine
CID 173105011
1-[4-(3-morpholin-4-ylquinoxaline-6-carbonyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 90134872
2-methyl-4-(3-morpholin-4-ylquinoxalin-6-yl)aniline
CID 67035841
1-[3-(3-morpholin-4-ylquinoxalin-6-yl)phenyl]-2-phenylethanone
CID 157427262
2-cyclopropyl-1-[3-(3-morpholin-4-ylquinoxalin-6-yl)phenyl]ethanone
CID 147372579

Frequently Asked Questions

What is the IUPAC name of 4-[7-[3-(trifluoromethyl)phenyl]quinoxalin-2-yl]morpholine?
The IUPAC name of 4-[7-[3-(trifluoromethyl)phenyl]quinoxalin-2-yl]morpholine (CID 51042039) is 4-[7-[3-(trifluoromethyl)phenyl]quinoxalin-2-yl]morpholine.
What is the SMILES notation for 4-[7-[3-(trifluoromethyl)phenyl]quinoxalin-2-yl]morpholine?
The canonical SMILES for 4-[7-[3-(trifluoromethyl)phenyl]quinoxalin-2-yl]morpholine is FC(F)(F)c1cccc(-c2ccc3ncc(N4CCOCC4)nc3c2)c1.
What is the InChIKey of 4-[7-[3-(trifluoromethyl)phenyl]quinoxalin-2-yl]morpholine?
The InChIKey is VHHOCVKXDGERFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O/c20-19(21,22)15-3-1-2-13(10-15)14-4-5-16-17(11-14)24-18(12-23-16)25-6-8-26-9-7-25/h1-5,10-12H,6-9H2.
What are the key properties of 4-[7-[3-(trifluoromethyl)phenyl]quinoxalin-2-yl]morpholine?
4-[7-[3-(trifluoromethyl)phenyl]quinoxalin-2-yl]morpholine has a molecular weight of 359.35 g/mol, XLogP of 4.15, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-[3-(trifluoromethyl)phenyl]quinoxalin-2-yl]morpholine is sourced from PubChem (CID 51042039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).