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

C16H11F3N2O3 — CID 54449768

IUPAC4-phenylmethoxy-6-(trifluoromethyl)-1H-quinoxaline-2,3-dione
SMILESO=c1[nH]c2ccc(C(F)(F)F)cc2n(OCc2ccccc2)c1=O
InChIInChI=1S/C16H11F3N2O3/c17-16(18,19)11-6-7-12-13(8-11)21(15(23)14(22)20-12)24-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,20,22)
InChIKeyWUCNYPXBEKOKOL-UHFFFAOYSA-N
MW336.27 g/mol
LogP2.34
Rot. Bonds3

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

4-phenylmethoxy-6-(trifluoromethyl)-1H-quinoxaline-2,3-dione (PubChem CID 54449768) has the molecular formula C16H11F3N2O3 and a molecular weight of 336.27 g/mol. Its IUPAC name is 4-phenylmethoxy-6-(trifluoromethyl)-1H-quinoxaline-2,3-dione.

Molecular Properties

Compound Name4-phenylmethoxy-6-(trifluoromethyl)-1H-quinoxaline-2,3-dione
PubChem CID54449768
Molecular FormulaC16H11F3N2O3
Molecular Weight336.27 g/mol
Exact Mass336.07
IUPAC Name4-phenylmethoxy-6-(trifluoromethyl)-1H-quinoxaline-2,3-dione
SMILESO=c1[nH]c2ccc(C(F)(F)F)cc2n(OCc2ccccc2)c1=O
InChIInChI=1S/C16H11F3N2O3/c17-16(18,19)11-6-7-12-13(8-11)21(15(23)14(22)20-12)24-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,20,22)
InChIKeyWUCNYPXBEKOKOL-UHFFFAOYSA-N
XLogP2.34
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.27
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-Phenylmethoxy-4-prop-2-enoxyquinoxaline-2,3-dione
CID 667272
1-Ethoxy-4-phenylmethoxyquinoxaline-2,3-dione
CID 876960
1-Benzyl-6-(trifluoromethyl)-1,4-dihydroquinoxaline-2,3-dione
CID 723528
2-methyl-N-phenylmethoxy-2-[4-(trifluoromethyl)anilino]propanamide
CID 154721786
2-anilino-2-methyl-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]propanamide
CID 154721793
1-Benzyloxy-7-cyano-6-trifluoromethylquinoxaline-2,3(1H,4H)-dione
CID 19421405
1-Benzyloxy-3-hydrazino-7-trifluoromethylquinoxalin-2(1H)-one
CID 19421407
1-hydroxy-7-trifluoromethylquinoxaline-2,3(1H,4H)-dione
CID 19421436
1-Benzyloxy-3-chloro-7-trifluoromethylquinoxalin-2(1H)-one
CID 19421447
1-benzyl-7-trifluoromethylquinoxaline-2,3(1H,4H)-dione
CID 19421455
4-phenylmethoxy-7-piperidin-1-yl-6-(trifluoromethyl)-1H-quinoxaline-2,3-dione
CID 19597267
7-morpholin-4-yl-4-phenylmethoxy-6-(trifluoromethyl)-1H-quinoxaline-2,3-dione
CID 19597288

Frequently Asked Questions

What is the IUPAC name of 4-phenylmethoxy-6-(trifluoromethyl)-1H-quinoxaline-2,3-dione?
The IUPAC name of 4-phenylmethoxy-6-(trifluoromethyl)-1H-quinoxaline-2,3-dione (CID 54449768) is 4-phenylmethoxy-6-(trifluoromethyl)-1H-quinoxaline-2,3-dione.
What is the SMILES notation for 4-phenylmethoxy-6-(trifluoromethyl)-1H-quinoxaline-2,3-dione?
The canonical SMILES for 4-phenylmethoxy-6-(trifluoromethyl)-1H-quinoxaline-2,3-dione is O=c1[nH]c2ccc(C(F)(F)F)cc2n(OCc2ccccc2)c1=O.
What is the InChIKey of 4-phenylmethoxy-6-(trifluoromethyl)-1H-quinoxaline-2,3-dione?
The InChIKey is WUCNYPXBEKOKOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2O3/c17-16(18,19)11-6-7-12-13(8-11)21(15(23)14(22)20-12)24-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,20,22).
What are the key properties of 4-phenylmethoxy-6-(trifluoromethyl)-1H-quinoxaline-2,3-dione?
4-phenylmethoxy-6-(trifluoromethyl)-1H-quinoxaline-2,3-dione has a molecular weight of 336.27 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylmethoxy-6-(trifluoromethyl)-1H-quinoxaline-2,3-dione is sourced from PubChem (CID 54449768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).