7-morpholin-4-yl-4-phenylmethoxy-6-(trifluoromethyl)-1H-quinoxaline-2,3-dione

C20H18F3N3O4 — CID 19597288

IUPAC7-morpholin-4-yl-4-phenylmethoxy-6-(trifluoromethyl)-1H-quinoxaline-2,3-dione
SMILESO=c1[nH]c2cc(N3CCOCC3)c(C(F)(F)F)cc2n(OCc2ccccc2)c1=O
InChIInChI=1S/C20H18F3N3O4/c21-20(22,23)14-10-17-15(11-16(14)25-6-8-29-9-7-25)24-18(27)19(28)26(17)30-12-13-4-2-1-3-5-13/h1-5,10-11H,6-9,12H2,(H,24,27)
InChIKeyPEXOWPOJCQFHTJ-UHFFFAOYSA-N
MW421.38 g/mol
LogP2.17
Rot. Bonds4

About 7-morpholin-4-yl-4-phenylmethoxy-6-(trifluoromethyl)-1H-quinoxaline-2,3-dione

7-morpholin-4-yl-4-phenylmethoxy-6-(trifluoromethyl)-1H-quinoxaline-2,3-dione (PubChem CID 19597288) has the molecular formula C20H18F3N3O4 and a molecular weight of 421.38 g/mol. Its IUPAC name is 7-morpholin-4-yl-4-phenylmethoxy-6-(trifluoromethyl)-1H-quinoxaline-2,3-dione.

Molecular Properties

Compound Name7-morpholin-4-yl-4-phenylmethoxy-6-(trifluoromethyl)-1H-quinoxaline-2,3-dione
PubChem CID19597288
Molecular FormulaC20H18F3N3O4
Molecular Weight421.38 g/mol
Exact Mass421.12
IUPAC Name7-morpholin-4-yl-4-phenylmethoxy-6-(trifluoromethyl)-1H-quinoxaline-2,3-dione
SMILESO=c1[nH]c2cc(N3CCOCC3)c(C(F)(F)F)cc2n(OCc2ccccc2)c1=O
InChIInChI=1S/C20H18F3N3O4/c21-20(22,23)14-10-17-15(11-16(14)25-6-8-29-9-7-25)24-18(27)19(28)26(17)30-12-13-4-2-1-3-5-13/h1-5,10-11H,6-9,12H2,(H,24,27)
InChIKeyPEXOWPOJCQFHTJ-UHFFFAOYSA-N
XLogP2.17
TPSA76.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.38
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-morpholin-4-yl-4-phenylmethoxy-6-(trifluoromethyl)-1H-quinoxaline-2,3-dione?
The IUPAC name of 7-morpholin-4-yl-4-phenylmethoxy-6-(trifluoromethyl)-1H-quinoxaline-2,3-dione (CID 19597288) is 7-morpholin-4-yl-4-phenylmethoxy-6-(trifluoromethyl)-1H-quinoxaline-2,3-dione.
What is the SMILES notation for 7-morpholin-4-yl-4-phenylmethoxy-6-(trifluoromethyl)-1H-quinoxaline-2,3-dione?
The canonical SMILES for 7-morpholin-4-yl-4-phenylmethoxy-6-(trifluoromethyl)-1H-quinoxaline-2,3-dione is O=c1[nH]c2cc(N3CCOCC3)c(C(F)(F)F)cc2n(OCc2ccccc2)c1=O.
What is the InChIKey of 7-morpholin-4-yl-4-phenylmethoxy-6-(trifluoromethyl)-1H-quinoxaline-2,3-dione?
The InChIKey is PEXOWPOJCQFHTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N3O4/c21-20(22,23)14-10-17-15(11-16(14)25-6-8-29-9-7-25)24-18(27)19(28)26(17)30-12-13-4-2-1-3-5-13/h1-5,10-11H,6-9,12H2,(H,24,27).
What are the key properties of 7-morpholin-4-yl-4-phenylmethoxy-6-(trifluoromethyl)-1H-quinoxaline-2,3-dione?
7-morpholin-4-yl-4-phenylmethoxy-6-(trifluoromethyl)-1H-quinoxaline-2,3-dione has a molecular weight of 421.38 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-morpholin-4-yl-4-phenylmethoxy-6-(trifluoromethyl)-1H-quinoxaline-2,3-dione is sourced from PubChem (CID 19597288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).