3-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]quinoxalin-2-amine

C20H19F3N4O — CID 166790815

IUPAC3-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]quinoxalin-2-amine
SMILESCc1nc2ccccc2nc1Nc1cc(C(F)(F)F)ccc1N1CCOCC1
InChIInChI=1S/C20H19F3N4O/c1-13-19(25-16-5-3-2-4-15(16)24-13)26-17-12-14(20(21,22)23)6-7-18(17)27-8-10-28-11-9-27/h2-7,12H,8-11H2,1H3,(H,25,26)
InChIKeyATXBWQDFAISAJV-UHFFFAOYSA-N
MW388.39 g/mol
LogP4.54
Rot. Bonds3

About 3-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]quinoxalin-2-amine

3-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]quinoxalin-2-amine (PubChem CID 166790815) has the molecular formula C20H19F3N4O and a molecular weight of 388.39 g/mol. Its IUPAC name is 3-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]quinoxalin-2-amine.

Molecular Properties

Compound Name3-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]quinoxalin-2-amine
PubChem CID166790815
Molecular FormulaC20H19F3N4O
Molecular Weight388.39 g/mol
Exact Mass388.15
IUPAC Name3-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]quinoxalin-2-amine
SMILESCc1nc2ccccc2nc1Nc1cc(C(F)(F)F)ccc1N1CCOCC1
InChIInChI=1S/C20H19F3N4O/c1-13-19(25-16-5-3-2-4-15(16)24-13)26-17-12-14(20(21,22)23)6-7-18(17)27-8-10-28-11-9-27/h2-7,12H,8-11H2,1H3,(H,25,26)
InChIKeyATXBWQDFAISAJV-UHFFFAOYSA-N
XLogP4.54
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.39
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]quinoxalin-2-amine?
The IUPAC name of 3-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]quinoxalin-2-amine (CID 166790815) is 3-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]quinoxalin-2-amine.
What is the SMILES notation for 3-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]quinoxalin-2-amine?
The canonical SMILES for 3-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]quinoxalin-2-amine is Cc1nc2ccccc2nc1Nc1cc(C(F)(F)F)ccc1N1CCOCC1.
What is the InChIKey of 3-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]quinoxalin-2-amine?
The InChIKey is ATXBWQDFAISAJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N4O/c1-13-19(25-16-5-3-2-4-15(16)24-13)26-17-12-14(20(21,22)23)6-7-18(17)27-8-10-28-11-9-27/h2-7,12H,8-11H2,1H3,(H,25,26).
What are the key properties of 3-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]quinoxalin-2-amine?
3-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]quinoxalin-2-amine has a molecular weight of 388.39 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]quinoxalin-2-amine is sourced from PubChem (CID 166790815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).