1-[2-(2,4-dichlorophenoxy)acetyl]-2,3-dihydroquinolin-4-one

C17H13Cl2NO3 — CID 1107047

IUPAC1-[2-(2,4-dichlorophenoxy)acetyl]-2,3-dihydroquinolin-4-one
SMILESO=C1CCN(C(=O)COc2ccc(Cl)cc2Cl)c2ccccc21
InChIInChI=1S/C17H13Cl2NO3/c18-11-5-6-16(13(19)9-11)23-10-17(22)20-8-7-15(21)12-3-1-2-4-14(12)20/h1-6,9H,7-8,10H2
InChIKeyAFEJNDGPXMJNJU-UHFFFAOYSA-N
MW350.20 g/mol
LogP3.99
Rot. Bonds3

About 1-[2-(2,4-dichlorophenoxy)acetyl]-2,3-dihydroquinolin-4-one

1-[2-(2,4-dichlorophenoxy)acetyl]-2,3-dihydroquinolin-4-one (PubChem CID 1107047) has the molecular formula C17H13Cl2NO3 and a molecular weight of 350.20 g/mol. Its IUPAC name is 1-[2-(2,4-dichlorophenoxy)acetyl]-2,3-dihydroquinolin-4-one.

Molecular Properties

Compound Name1-[2-(2,4-dichlorophenoxy)acetyl]-2,3-dihydroquinolin-4-one
PubChem CID1107047
Molecular FormulaC17H13Cl2NO3
Molecular Weight350.20 g/mol
Exact Mass349.03
IUPAC Name1-[2-(2,4-dichlorophenoxy)acetyl]-2,3-dihydroquinolin-4-one
SMILESO=C1CCN(C(=O)COc2ccc(Cl)cc2Cl)c2ccccc21
InChIInChI=1S/C17H13Cl2NO3/c18-11-5-6-16(13(19)9-11)23-10-17(22)20-8-7-15(21)12-3-1-2-4-14(12)20/h1-6,9H,7-8,10H2
InChIKeyAFEJNDGPXMJNJU-UHFFFAOYSA-N
XLogP3.99
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.20
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dichlorophenoxy)acetyl]-2,3-dihydroquinolin-4-one?
The IUPAC name of 1-[2-(2,4-dichlorophenoxy)acetyl]-2,3-dihydroquinolin-4-one (CID 1107047) is 1-[2-(2,4-dichlorophenoxy)acetyl]-2,3-dihydroquinolin-4-one.
What is the SMILES notation for 1-[2-(2,4-dichlorophenoxy)acetyl]-2,3-dihydroquinolin-4-one?
The canonical SMILES for 1-[2-(2,4-dichlorophenoxy)acetyl]-2,3-dihydroquinolin-4-one is O=C1CCN(C(=O)COc2ccc(Cl)cc2Cl)c2ccccc21.
What is the InChIKey of 1-[2-(2,4-dichlorophenoxy)acetyl]-2,3-dihydroquinolin-4-one?
The InChIKey is AFEJNDGPXMJNJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2NO3/c18-11-5-6-16(13(19)9-11)23-10-17(22)20-8-7-15(21)12-3-1-2-4-14(12)20/h1-6,9H,7-8,10H2.
What are the key properties of 1-[2-(2,4-dichlorophenoxy)acetyl]-2,3-dihydroquinolin-4-one?
1-[2-(2,4-dichlorophenoxy)acetyl]-2,3-dihydroquinolin-4-one has a molecular weight of 350.20 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-dichlorophenoxy)acetyl]-2,3-dihydroquinolin-4-one is sourced from PubChem (CID 1107047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).