quinolin-8-yl 2-(4-chlorophenyl)acetate

C17H12ClNO2 — CID 805381

IUPACquinolin-8-yl 2-(4-chlorophenyl)acetate
SMILESO=C(Cc1ccc(Cl)cc1)Oc1cccc2cccnc12
InChIInChI=1S/C17H12ClNO2/c18-14-8-6-12(7-9-14)11-16(20)21-15-5-1-3-13-4-2-10-19-17(13)15/h1-10H,11H2
InChIKeySWSSBWPHRGOYKW-UHFFFAOYSA-N
MW297.74 g/mol
LogP4.04
Rot. Bonds3

About quinolin-8-yl 2-(4-chlorophenyl)acetate

quinolin-8-yl 2-(4-chlorophenyl)acetate (PubChem CID 805381) has the molecular formula C17H12ClNO2 and a molecular weight of 297.74 g/mol. Its IUPAC name is quinolin-8-yl 2-(4-chlorophenyl)acetate.

Molecular Properties

Compound Namequinolin-8-yl 2-(4-chlorophenyl)acetate
PubChem CID805381
Molecular FormulaC17H12ClNO2
Molecular Weight297.74 g/mol
Exact Mass297.06
IUPAC Namequinolin-8-yl 2-(4-chlorophenyl)acetate
SMILESO=C(Cc1ccc(Cl)cc1)Oc1cccc2cccnc12
InChIInChI=1S/C17H12ClNO2/c18-14-8-6-12(7-9-14)11-16(20)21-15-5-1-3-13-4-2-10-19-17(13)15/h1-10H,11H2
InChIKeySWSSBWPHRGOYKW-UHFFFAOYSA-N
XLogP4.04
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.74
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze quinolin-8-yl 2-(4-chlorophenyl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of quinolin-8-yl 2-(4-chlorophenyl)acetate?
The IUPAC name of quinolin-8-yl 2-(4-chlorophenyl)acetate (CID 805381) is quinolin-8-yl 2-(4-chlorophenyl)acetate.
What is the SMILES notation for quinolin-8-yl 2-(4-chlorophenyl)acetate?
The canonical SMILES for quinolin-8-yl 2-(4-chlorophenyl)acetate is O=C(Cc1ccc(Cl)cc1)Oc1cccc2cccnc12.
What is the InChIKey of quinolin-8-yl 2-(4-chlorophenyl)acetate?
The InChIKey is SWSSBWPHRGOYKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClNO2/c18-14-8-6-12(7-9-14)11-16(20)21-15-5-1-3-13-4-2-10-19-17(13)15/h1-10H,11H2.
What are the key properties of quinolin-8-yl 2-(4-chlorophenyl)acetate?
quinolin-8-yl 2-(4-chlorophenyl)acetate has a molecular weight of 297.74 g/mol, XLogP of 4.04, 3 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-chlorophenyl)acetate is sourced from PubChem (CID 805381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).