quinolin-8-yl 2,4-dichlorobenzoate

C16H9Cl2NO2 — CID 792295

IUPACquinolin-8-yl 2,4-dichlorobenzoate
SMILESO=C(Oc1cccc2cccnc12)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H9Cl2NO2/c17-11-6-7-12(13(18)9-11)16(20)21-14-5-1-3-10-4-2-8-19-15(10)14/h1-9H
InChIKeyFQHMFUCMMWUVNI-UHFFFAOYSA-N
MW318.16 g/mol
LogP4.76
Rot. Bonds2

About quinolin-8-yl 2,4-dichlorobenzoate

quinolin-8-yl 2,4-dichlorobenzoate (PubChem CID 792295) has the molecular formula C16H9Cl2NO2 and a molecular weight of 318.16 g/mol. Its IUPAC name is quinolin-8-yl 2,4-dichlorobenzoate.

Molecular Properties

Compound Namequinolin-8-yl 2,4-dichlorobenzoate
PubChem CID792295
Molecular FormulaC16H9Cl2NO2
Molecular Weight318.16 g/mol
Exact Mass317.00
IUPAC Namequinolin-8-yl 2,4-dichlorobenzoate
SMILESO=C(Oc1cccc2cccnc12)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H9Cl2NO2/c17-11-6-7-12(13(18)9-11)16(20)21-14-5-1-3-10-4-2-8-19-15(10)14/h1-9H
InChIKeyFQHMFUCMMWUVNI-UHFFFAOYSA-N
XLogP4.76
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.16
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of quinolin-8-yl 2,4-dichlorobenzoate?
The IUPAC name of quinolin-8-yl 2,4-dichlorobenzoate (CID 792295) is quinolin-8-yl 2,4-dichlorobenzoate.
What is the SMILES notation for quinolin-8-yl 2,4-dichlorobenzoate?
The canonical SMILES for quinolin-8-yl 2,4-dichlorobenzoate is O=C(Oc1cccc2cccnc12)c1ccc(Cl)cc1Cl.
What is the InChIKey of quinolin-8-yl 2,4-dichlorobenzoate?
The InChIKey is FQHMFUCMMWUVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9Cl2NO2/c17-11-6-7-12(13(18)9-11)16(20)21-14-5-1-3-10-4-2-8-19-15(10)14/h1-9H.
What are the key properties of quinolin-8-yl 2,4-dichlorobenzoate?
quinolin-8-yl 2,4-dichlorobenzoate has a molecular weight of 318.16 g/mol, XLogP of 4.76, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for quinolin-8-yl 2,4-dichlorobenzoate is sourced from PubChem (CID 792295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).