4-(2,5-dichloro-7-iodoquinolin-8-yl)oxypentan-2-one

C14H12Cl2INO2 — CID 83224588

IUPAC4-(2,5-dichloro-7-iodoquinolin-8-yl)oxypentan-2-one
SMILESCC(=O)CC(C)Oc1c(I)cc(Cl)c2ccc(Cl)nc12
InChIInChI=1S/C14H12Cl2INO2/c1-7(19)5-8(2)20-14-11(17)6-10(15)9-3-4-12(16)18-13(9)14/h3-4,6,8H,5H2,1-2H3
InChIKeyBZOQXYGQTIWDQR-UHFFFAOYSA-N
MW424.07 g/mol
LogP4.89
Rot. Bonds4

About 4-(2,5-dichloro-7-iodoquinolin-8-yl)oxypentan-2-one

4-(2,5-dichloro-7-iodoquinolin-8-yl)oxypentan-2-one (PubChem CID 83224588) has the molecular formula C14H12Cl2INO2 and a molecular weight of 424.07 g/mol. Its IUPAC name is 4-(2,5-dichloro-7-iodoquinolin-8-yl)oxypentan-2-one.

Molecular Properties

Compound Name4-(2,5-dichloro-7-iodoquinolin-8-yl)oxypentan-2-one
PubChem CID83224588
Molecular FormulaC14H12Cl2INO2
Molecular Weight424.07 g/mol
Exact Mass422.93
IUPAC Name4-(2,5-dichloro-7-iodoquinolin-8-yl)oxypentan-2-one
SMILESCC(=O)CC(C)Oc1c(I)cc(Cl)c2ccc(Cl)nc12
InChIInChI=1S/C14H12Cl2INO2/c1-7(19)5-8(2)20-14-11(17)6-10(15)9-3-4-12(16)18-13(9)14/h3-4,6,8H,5H2,1-2H3
InChIKeyBZOQXYGQTIWDQR-UHFFFAOYSA-N
XLogP4.89
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.07
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dichloro-7-iodoquinolin-8-yl)oxypentan-2-one?
The IUPAC name of 4-(2,5-dichloro-7-iodoquinolin-8-yl)oxypentan-2-one (CID 83224588) is 4-(2,5-dichloro-7-iodoquinolin-8-yl)oxypentan-2-one.
What is the SMILES notation for 4-(2,5-dichloro-7-iodoquinolin-8-yl)oxypentan-2-one?
The canonical SMILES for 4-(2,5-dichloro-7-iodoquinolin-8-yl)oxypentan-2-one is CC(=O)CC(C)Oc1c(I)cc(Cl)c2ccc(Cl)nc12.
What is the InChIKey of 4-(2,5-dichloro-7-iodoquinolin-8-yl)oxypentan-2-one?
The InChIKey is BZOQXYGQTIWDQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2INO2/c1-7(19)5-8(2)20-14-11(17)6-10(15)9-3-4-12(16)18-13(9)14/h3-4,6,8H,5H2,1-2H3.
What are the key properties of 4-(2,5-dichloro-7-iodoquinolin-8-yl)oxypentan-2-one?
4-(2,5-dichloro-7-iodoquinolin-8-yl)oxypentan-2-one has a molecular weight of 424.07 g/mol, XLogP of 4.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dichloro-7-iodoquinolin-8-yl)oxypentan-2-one is sourced from PubChem (CID 83224588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).