4-(3,4-dimethylphenoxy)-1H-quinolin-2-one

C17H15NO2 — CID 59237419

IUPAC4-(3,4-dimethylphenoxy)-1H-quinolin-2-one
SMILESCc1ccc(Oc2cc(=O)[nH]c3ccccc23)cc1C
InChIInChI=1S/C17H15NO2/c1-11-7-8-13(9-12(11)2)20-16-10-17(19)18-15-6-4-3-5-14(15)16/h3-10H,1-2H3,(H,18,19)
InChIKeyJVVNSOORLKAFLZ-UHFFFAOYSA-N
MW265.31 g/mol
LogP3.94
Rot. Bonds2

About 4-(3,4-dimethylphenoxy)-1H-quinolin-2-one

4-(3,4-dimethylphenoxy)-1H-quinolin-2-one (PubChem CID 59237419) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is 4-(3,4-dimethylphenoxy)-1H-quinolin-2-one.

Molecular Properties

Compound Name4-(3,4-dimethylphenoxy)-1H-quinolin-2-one
PubChem CID59237419
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Name4-(3,4-dimethylphenoxy)-1H-quinolin-2-one
SMILESCc1ccc(Oc2cc(=O)[nH]c3ccccc23)cc1C
InChIInChI=1S/C17H15NO2/c1-11-7-8-13(9-12(11)2)20-16-10-17(19)18-15-6-4-3-5-14(15)16/h3-10H,1-2H3,(H,18,19)
InChIKeyJVVNSOORLKAFLZ-UHFFFAOYSA-N
XLogP3.94
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethylphenoxy)-1H-quinolin-2-one?
The IUPAC name of 4-(3,4-dimethylphenoxy)-1H-quinolin-2-one (CID 59237419) is 4-(3,4-dimethylphenoxy)-1H-quinolin-2-one.
What is the SMILES notation for 4-(3,4-dimethylphenoxy)-1H-quinolin-2-one?
The canonical SMILES for 4-(3,4-dimethylphenoxy)-1H-quinolin-2-one is Cc1ccc(Oc2cc(=O)[nH]c3ccccc23)cc1C.
What is the InChIKey of 4-(3,4-dimethylphenoxy)-1H-quinolin-2-one?
The InChIKey is JVVNSOORLKAFLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2/c1-11-7-8-13(9-12(11)2)20-16-10-17(19)18-15-6-4-3-5-14(15)16/h3-10H,1-2H3,(H,18,19).
What are the key properties of 4-(3,4-dimethylphenoxy)-1H-quinolin-2-one?
4-(3,4-dimethylphenoxy)-1H-quinolin-2-one has a molecular weight of 265.31 g/mol, XLogP of 3.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethylphenoxy)-1H-quinolin-2-one is sourced from PubChem (CID 59237419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).