4-[2-(2-chlorophenoxy)acetyl]-1,3-dihydroquinoxalin-2-one

C16H13ClN2O3 — CID 2707156

IUPAC4-[2-(2-chlorophenoxy)acetyl]-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(C(=O)COc2ccccc2Cl)c2ccccc2N1
InChIInChI=1S/C16H13ClN2O3/c17-11-5-1-4-8-14(11)22-10-16(21)19-9-15(20)18-12-6-2-3-7-13(12)19/h1-8H,9-10H2,(H,18,20)
InChIKeyBLWZTRGZPZOPMT-UHFFFAOYSA-N
MW316.74 g/mol
LogP2.70
Rot. Bonds3

About 4-[2-(2-chlorophenoxy)acetyl]-1,3-dihydroquinoxalin-2-one

4-[2-(2-chlorophenoxy)acetyl]-1,3-dihydroquinoxalin-2-one (PubChem CID 2707156) has the molecular formula C16H13ClN2O3 and a molecular weight of 316.74 g/mol. Its IUPAC name is 4-[2-(2-chlorophenoxy)acetyl]-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-[2-(2-chlorophenoxy)acetyl]-1,3-dihydroquinoxalin-2-one
PubChem CID2707156
Molecular FormulaC16H13ClN2O3
Molecular Weight316.74 g/mol
Exact Mass316.06
IUPAC Name4-[2-(2-chlorophenoxy)acetyl]-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(C(=O)COc2ccccc2Cl)c2ccccc2N1
InChIInChI=1S/C16H13ClN2O3/c17-11-5-1-4-8-14(11)22-10-16(21)19-9-15(20)18-12-6-2-3-7-13(12)19/h1-8H,9-10H2,(H,18,20)
InChIKeyBLWZTRGZPZOPMT-UHFFFAOYSA-N
XLogP2.70
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.74
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-chlorophenoxy)acetyl]-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-[2-(2-chlorophenoxy)acetyl]-1,3-dihydroquinoxalin-2-one (CID 2707156) is 4-[2-(2-chlorophenoxy)acetyl]-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-[2-(2-chlorophenoxy)acetyl]-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-[2-(2-chlorophenoxy)acetyl]-1,3-dihydroquinoxalin-2-one is O=C1CN(C(=O)COc2ccccc2Cl)c2ccccc2N1.
What is the InChIKey of 4-[2-(2-chlorophenoxy)acetyl]-1,3-dihydroquinoxalin-2-one?
The InChIKey is BLWZTRGZPZOPMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O3/c17-11-5-1-4-8-14(11)22-10-16(21)19-9-15(20)18-12-6-2-3-7-13(12)19/h1-8H,9-10H2,(H,18,20).
What are the key properties of 4-[2-(2-chlorophenoxy)acetyl]-1,3-dihydroquinoxalin-2-one?
4-[2-(2-chlorophenoxy)acetyl]-1,3-dihydroquinoxalin-2-one has a molecular weight of 316.74 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-chlorophenoxy)acetyl]-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 2707156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).