4-[2-(2-acetyl-4-chlorophenoxy)acetyl]-3,3-dimethyl-1H-quinoxalin-2-one

C20H19ClN2O4 — CID 7167738

IUPAC4-[2-(2-acetyl-4-chlorophenoxy)acetyl]-3,3-dimethyl-1H-quinoxalin-2-one
SMILESCC(=O)c1cc(Cl)ccc1OCC(=O)N1c2ccccc2NC(=O)C1(C)C
InChIInChI=1S/C20H19ClN2O4/c1-12(24)14-10-13(21)8-9-17(14)27-11-18(25)23-16-7-5-4-6-15(16)22-19(26)20(23,2)3/h4-10H,11H2,1-3H3,(H,22,26)
InChIKeyVTQPDYZLQBPPLZ-UHFFFAOYSA-N
MW386.84 g/mol
LogP3.69
Rot. Bonds4

About 4-[2-(2-acetyl-4-chlorophenoxy)acetyl]-3,3-dimethyl-1H-quinoxalin-2-one

4-[2-(2-acetyl-4-chlorophenoxy)acetyl]-3,3-dimethyl-1H-quinoxalin-2-one (PubChem CID 7167738) has the molecular formula C20H19ClN2O4 and a molecular weight of 386.84 g/mol. Its IUPAC name is 4-[2-(2-acetyl-4-chlorophenoxy)acetyl]-3,3-dimethyl-1H-quinoxalin-2-one.

Molecular Properties

Compound Name4-[2-(2-acetyl-4-chlorophenoxy)acetyl]-3,3-dimethyl-1H-quinoxalin-2-one
PubChem CID7167738
Molecular FormulaC20H19ClN2O4
Molecular Weight386.84 g/mol
Exact Mass386.10
IUPAC Name4-[2-(2-acetyl-4-chlorophenoxy)acetyl]-3,3-dimethyl-1H-quinoxalin-2-one
SMILESCC(=O)c1cc(Cl)ccc1OCC(=O)N1c2ccccc2NC(=O)C1(C)C
InChIInChI=1S/C20H19ClN2O4/c1-12(24)14-10-13(21)8-9-17(14)27-11-18(25)23-16-7-5-4-6-15(16)22-19(26)20(23,2)3/h4-10H,11H2,1-3H3,(H,22,26)
InChIKeyVTQPDYZLQBPPLZ-UHFFFAOYSA-N
XLogP3.69
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.84
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-acetyl-4-chlorophenoxy)acetyl]-3,3-dimethyl-1H-quinoxalin-2-one?
The IUPAC name of 4-[2-(2-acetyl-4-chlorophenoxy)acetyl]-3,3-dimethyl-1H-quinoxalin-2-one (CID 7167738) is 4-[2-(2-acetyl-4-chlorophenoxy)acetyl]-3,3-dimethyl-1H-quinoxalin-2-one.
What is the SMILES notation for 4-[2-(2-acetyl-4-chlorophenoxy)acetyl]-3,3-dimethyl-1H-quinoxalin-2-one?
The canonical SMILES for 4-[2-(2-acetyl-4-chlorophenoxy)acetyl]-3,3-dimethyl-1H-quinoxalin-2-one is CC(=O)c1cc(Cl)ccc1OCC(=O)N1c2ccccc2NC(=O)C1(C)C.
What is the InChIKey of 4-[2-(2-acetyl-4-chlorophenoxy)acetyl]-3,3-dimethyl-1H-quinoxalin-2-one?
The InChIKey is VTQPDYZLQBPPLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O4/c1-12(24)14-10-13(21)8-9-17(14)27-11-18(25)23-16-7-5-4-6-15(16)22-19(26)20(23,2)3/h4-10H,11H2,1-3H3,(H,22,26).
What are the key properties of 4-[2-(2-acetyl-4-chlorophenoxy)acetyl]-3,3-dimethyl-1H-quinoxalin-2-one?
4-[2-(2-acetyl-4-chlorophenoxy)acetyl]-3,3-dimethyl-1H-quinoxalin-2-one has a molecular weight of 386.84 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-acetyl-4-chlorophenoxy)acetyl]-3,3-dimethyl-1H-quinoxalin-2-one is sourced from PubChem (CID 7167738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).