1-[2-(4-chlorophenoxy)ethyl]-4-methylquinolin-2-one

C18H16ClNO2 — CID 39768066

IUPAC1-[2-(4-chlorophenoxy)ethyl]-4-methylquinolin-2-one
SMILESCc1cc(=O)n(CCOc2ccc(Cl)cc2)c2ccccc12
InChIInChI=1S/C18H16ClNO2/c1-13-12-18(21)20(17-5-3-2-4-16(13)17)10-11-22-15-8-6-14(19)7-9-15/h2-9,12H,10-11H2,1H3
InChIKeyBAPQOVHZULYJLI-UHFFFAOYSA-N
MW313.78 g/mol
LogP4.04
Rot. Bonds4

About 1-[2-(4-chlorophenoxy)ethyl]-4-methylquinolin-2-one

1-[2-(4-chlorophenoxy)ethyl]-4-methylquinolin-2-one (PubChem CID 39768066) has the molecular formula C18H16ClNO2 and a molecular weight of 313.78 g/mol. Its IUPAC name is 1-[2-(4-chlorophenoxy)ethyl]-4-methylquinolin-2-one.

Molecular Properties

Compound Name1-[2-(4-chlorophenoxy)ethyl]-4-methylquinolin-2-one
PubChem CID39768066
Molecular FormulaC18H16ClNO2
Molecular Weight313.78 g/mol
Exact Mass313.09
IUPAC Name1-[2-(4-chlorophenoxy)ethyl]-4-methylquinolin-2-one
SMILESCc1cc(=O)n(CCOc2ccc(Cl)cc2)c2ccccc12
InChIInChI=1S/C18H16ClNO2/c1-13-12-18(21)20(17-5-3-2-4-16(13)17)10-11-22-15-8-6-14(19)7-9-15/h2-9,12H,10-11H2,1H3
InChIKeyBAPQOVHZULYJLI-UHFFFAOYSA-N
XLogP4.04
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.78
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenoxy)ethyl]-4-methylquinolin-2-one?
The IUPAC name of 1-[2-(4-chlorophenoxy)ethyl]-4-methylquinolin-2-one (CID 39768066) is 1-[2-(4-chlorophenoxy)ethyl]-4-methylquinolin-2-one.
What is the SMILES notation for 1-[2-(4-chlorophenoxy)ethyl]-4-methylquinolin-2-one?
The canonical SMILES for 1-[2-(4-chlorophenoxy)ethyl]-4-methylquinolin-2-one is Cc1cc(=O)n(CCOc2ccc(Cl)cc2)c2ccccc12.
What is the InChIKey of 1-[2-(4-chlorophenoxy)ethyl]-4-methylquinolin-2-one?
The InChIKey is BAPQOVHZULYJLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClNO2/c1-13-12-18(21)20(17-5-3-2-4-16(13)17)10-11-22-15-8-6-14(19)7-9-15/h2-9,12H,10-11H2,1H3.
What are the key properties of 1-[2-(4-chlorophenoxy)ethyl]-4-methylquinolin-2-one?
1-[2-(4-chlorophenoxy)ethyl]-4-methylquinolin-2-one has a molecular weight of 313.78 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenoxy)ethyl]-4-methylquinolin-2-one is sourced from PubChem (CID 39768066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).