4-[(4-chlorophenyl)methyl]-1-propan-2-yl-6-(trifluoromethyl)quinoxaline-2,3-dione

C19H16ClF3N2O2 — CID 4690361

IUPAC4-[(4-chlorophenyl)methyl]-1-propan-2-yl-6-(trifluoromethyl)quinoxaline-2,3-dione
SMILESCC(C)n1c(=O)c(=O)n(Cc2ccc(Cl)cc2)c2cc(C(F)(F)F)ccc21
InChIInChI=1S/C19H16ClF3N2O2/c1-11(2)25-15-8-5-13(19(21,22)23)9-16(15)24(17(26)18(25)27)10-12-3-6-14(20)7-4-12/h3-9,11H,10H2,1-2H3
InChIKeySSJQUGHLGFQXLD-UHFFFAOYSA-N
MW396.80 g/mol
LogP4.46
Rot. Bonds3

About 4-[(4-chlorophenyl)methyl]-1-propan-2-yl-6-(trifluoromethyl)quinoxaline-2,3-dione

4-[(4-chlorophenyl)methyl]-1-propan-2-yl-6-(trifluoromethyl)quinoxaline-2,3-dione (PubChem CID 4690361) has the molecular formula C19H16ClF3N2O2 and a molecular weight of 396.80 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)methyl]-1-propan-2-yl-6-(trifluoromethyl)quinoxaline-2,3-dione.

Molecular Properties

Compound Name4-[(4-chlorophenyl)methyl]-1-propan-2-yl-6-(trifluoromethyl)quinoxaline-2,3-dione
PubChem CID4690361
Molecular FormulaC19H16ClF3N2O2
Molecular Weight396.80 g/mol
Exact Mass396.09
IUPAC Name4-[(4-chlorophenyl)methyl]-1-propan-2-yl-6-(trifluoromethyl)quinoxaline-2,3-dione
SMILESCC(C)n1c(=O)c(=O)n(Cc2ccc(Cl)cc2)c2cc(C(F)(F)F)ccc21
InChIInChI=1S/C19H16ClF3N2O2/c1-11(2)25-15-8-5-13(19(21,22)23)9-16(15)24(17(26)18(25)27)10-12-3-6-14(20)7-4-12/h3-9,11H,10H2,1-2H3
InChIKeySSJQUGHLGFQXLD-UHFFFAOYSA-N
XLogP4.46
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.80
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 4-[(4-chlorophenyl)methyl]-1-propan-2-yl-6-(trifluoromethyl)quinoxaline-2,3-dione?
The IUPAC name of 4-[(4-chlorophenyl)methyl]-1-propan-2-yl-6-(trifluoromethyl)quinoxaline-2,3-dione (CID 4690361) is 4-[(4-chlorophenyl)methyl]-1-propan-2-yl-6-(trifluoromethyl)quinoxaline-2,3-dione.
What is the SMILES notation for 4-[(4-chlorophenyl)methyl]-1-propan-2-yl-6-(trifluoromethyl)quinoxaline-2,3-dione?
The canonical SMILES for 4-[(4-chlorophenyl)methyl]-1-propan-2-yl-6-(trifluoromethyl)quinoxaline-2,3-dione is CC(C)n1c(=O)c(=O)n(Cc2ccc(Cl)cc2)c2cc(C(F)(F)F)ccc21.
What is the InChIKey of 4-[(4-chlorophenyl)methyl]-1-propan-2-yl-6-(trifluoromethyl)quinoxaline-2,3-dione?
The InChIKey is SSJQUGHLGFQXLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClF3N2O2/c1-11(2)25-15-8-5-13(19(21,22)23)9-16(15)24(17(26)18(25)27)10-12-3-6-14(20)7-4-12/h3-9,11H,10H2,1-2H3.
What are the key properties of 4-[(4-chlorophenyl)methyl]-1-propan-2-yl-6-(trifluoromethyl)quinoxaline-2,3-dione?
4-[(4-chlorophenyl)methyl]-1-propan-2-yl-6-(trifluoromethyl)quinoxaline-2,3-dione has a molecular weight of 396.80 g/mol, XLogP of 4.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)methyl]-1-propan-2-yl-6-(trifluoromethyl)quinoxaline-2,3-dione is sourced from PubChem (CID 4690361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).