4-(4-acetylphenoxy)-1H-quinolin-2-one

C17H13NO3 — CID 59237524

IUPAC4-(4-acetylphenoxy)-1H-quinolin-2-one
SMILESCC(=O)c1ccc(Oc2cc(=O)[nH]c3ccccc23)cc1
InChIInChI=1S/C17H13NO3/c1-11(19)12-6-8-13(9-7-12)21-16-10-17(20)18-15-5-3-2-4-14(15)16/h2-10H,1H3,(H,18,20)
InChIKeyIYXLNVMRLXNTAR-UHFFFAOYSA-N
MW279.30 g/mol
LogP3.52
Rot. Bonds3

About 4-(4-acetylphenoxy)-1H-quinolin-2-one

4-(4-acetylphenoxy)-1H-quinolin-2-one (PubChem CID 59237524) has the molecular formula C17H13NO3 and a molecular weight of 279.30 g/mol. Its IUPAC name is 4-(4-acetylphenoxy)-1H-quinolin-2-one.

Molecular Properties

Compound Name4-(4-acetylphenoxy)-1H-quinolin-2-one
PubChem CID59237524
Molecular FormulaC17H13NO3
Molecular Weight279.30 g/mol
Exact Mass279.09
IUPAC Name4-(4-acetylphenoxy)-1H-quinolin-2-one
SMILESCC(=O)c1ccc(Oc2cc(=O)[nH]c3ccccc23)cc1
InChIInChI=1S/C17H13NO3/c1-11(19)12-6-8-13(9-7-12)21-16-10-17(20)18-15-5-3-2-4-14(15)16/h2-10H,1H3,(H,18,20)
InChIKeyIYXLNVMRLXNTAR-UHFFFAOYSA-N
XLogP3.52
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-acetylphenoxy)-1H-quinolin-2-one?
The IUPAC name of 4-(4-acetylphenoxy)-1H-quinolin-2-one (CID 59237524) is 4-(4-acetylphenoxy)-1H-quinolin-2-one.
What is the SMILES notation for 4-(4-acetylphenoxy)-1H-quinolin-2-one?
The canonical SMILES for 4-(4-acetylphenoxy)-1H-quinolin-2-one is CC(=O)c1ccc(Oc2cc(=O)[nH]c3ccccc23)cc1.
What is the InChIKey of 4-(4-acetylphenoxy)-1H-quinolin-2-one?
The InChIKey is IYXLNVMRLXNTAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO3/c1-11(19)12-6-8-13(9-7-12)21-16-10-17(20)18-15-5-3-2-4-14(15)16/h2-10H,1H3,(H,18,20).
What are the key properties of 4-(4-acetylphenoxy)-1H-quinolin-2-one?
4-(4-acetylphenoxy)-1H-quinolin-2-one has a molecular weight of 279.30 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetylphenoxy)-1H-quinolin-2-one is sourced from PubChem (CID 59237524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).