1-(5,7-dichloro-2-methylquinolin-8-yl)oxypentan-2-one

C15H15Cl2NO2 — CID 62041878

IUPAC1-(5,7-dichloro-2-methylquinolin-8-yl)oxypentan-2-one
SMILESCCCC(=O)COc1c(Cl)cc(Cl)c2ccc(C)nc12
InChIInChI=1S/C15H15Cl2NO2/c1-3-4-10(19)8-20-15-13(17)7-12(16)11-6-5-9(2)18-14(11)15/h5-7H,3-4,8H2,1-2H3
InChIKeyGNDCXBLRYZFVGL-UHFFFAOYSA-N
MW312.20 g/mol
LogP4.60
Rot. Bonds5

About 1-(5,7-dichloro-2-methylquinolin-8-yl)oxypentan-2-one

1-(5,7-dichloro-2-methylquinolin-8-yl)oxypentan-2-one (PubChem CID 62041878) has the molecular formula C15H15Cl2NO2 and a molecular weight of 312.20 g/mol. Its IUPAC name is 1-(5,7-dichloro-2-methylquinolin-8-yl)oxypentan-2-one.

Molecular Properties

Compound Name1-(5,7-dichloro-2-methylquinolin-8-yl)oxypentan-2-one
PubChem CID62041878
Molecular FormulaC15H15Cl2NO2
Molecular Weight312.20 g/mol
Exact Mass311.05
IUPAC Name1-(5,7-dichloro-2-methylquinolin-8-yl)oxypentan-2-one
SMILESCCCC(=O)COc1c(Cl)cc(Cl)c2ccc(C)nc12
InChIInChI=1S/C15H15Cl2NO2/c1-3-4-10(19)8-20-15-13(17)7-12(16)11-6-5-9(2)18-14(11)15/h5-7H,3-4,8H2,1-2H3
InChIKeyGNDCXBLRYZFVGL-UHFFFAOYSA-N
XLogP4.60
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.20
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5,7-dichloro-2-methylquinolin-8-yl)oxypentan-2-one?
The IUPAC name of 1-(5,7-dichloro-2-methylquinolin-8-yl)oxypentan-2-one (CID 62041878) is 1-(5,7-dichloro-2-methylquinolin-8-yl)oxypentan-2-one.
What is the SMILES notation for 1-(5,7-dichloro-2-methylquinolin-8-yl)oxypentan-2-one?
The canonical SMILES for 1-(5,7-dichloro-2-methylquinolin-8-yl)oxypentan-2-one is CCCC(=O)COc1c(Cl)cc(Cl)c2ccc(C)nc12.
What is the InChIKey of 1-(5,7-dichloro-2-methylquinolin-8-yl)oxypentan-2-one?
The InChIKey is GNDCXBLRYZFVGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO2/c1-3-4-10(19)8-20-15-13(17)7-12(16)11-6-5-9(2)18-14(11)15/h5-7H,3-4,8H2,1-2H3.
What are the key properties of 1-(5,7-dichloro-2-methylquinolin-8-yl)oxypentan-2-one?
1-(5,7-dichloro-2-methylquinolin-8-yl)oxypentan-2-one has a molecular weight of 312.20 g/mol, XLogP of 4.60, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,7-dichloro-2-methylquinolin-8-yl)oxypentan-2-one is sourced from PubChem (CID 62041878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).