quinolin-8-yl 3-chloro-4-methoxybenzoate

C17H12ClNO3 — CID 712726

IUPACquinolin-8-yl 3-chloro-4-methoxybenzoate
SMILESCOc1ccc(C(=O)Oc2cccc3cccnc23)cc1Cl
InChIInChI=1S/C17H12ClNO3/c1-21-14-8-7-12(10-13(14)18)17(20)22-15-6-2-4-11-5-3-9-19-16(11)15/h2-10H,1H3
InChIKeyIZVSNMMAWMKWRH-UHFFFAOYSA-N
MW313.74 g/mol
LogP4.12
Rot. Bonds3

About quinolin-8-yl 3-chloro-4-methoxybenzoate

quinolin-8-yl 3-chloro-4-methoxybenzoate (PubChem CID 712726) has the molecular formula C17H12ClNO3 and a molecular weight of 313.74 g/mol. Its IUPAC name is quinolin-8-yl 3-chloro-4-methoxybenzoate.

Molecular Properties

Compound Namequinolin-8-yl 3-chloro-4-methoxybenzoate
PubChem CID712726
Molecular FormulaC17H12ClNO3
Molecular Weight313.74 g/mol
Exact Mass313.05
IUPAC Namequinolin-8-yl 3-chloro-4-methoxybenzoate
SMILESCOc1ccc(C(=O)Oc2cccc3cccnc23)cc1Cl
InChIInChI=1S/C17H12ClNO3/c1-21-14-8-7-12(10-13(14)18)17(20)22-15-6-2-4-11-5-3-9-19-16(11)15/h2-10H,1H3
InChIKeyIZVSNMMAWMKWRH-UHFFFAOYSA-N
XLogP4.12
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.74
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze quinolin-8-yl 3-chloro-4-methoxybenzoate 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 3-chloro-4-methoxybenzoate?
The IUPAC name of quinolin-8-yl 3-chloro-4-methoxybenzoate (CID 712726) is quinolin-8-yl 3-chloro-4-methoxybenzoate.
What is the SMILES notation for quinolin-8-yl 3-chloro-4-methoxybenzoate?
The canonical SMILES for quinolin-8-yl 3-chloro-4-methoxybenzoate is COc1ccc(C(=O)Oc2cccc3cccnc23)cc1Cl.
What is the InChIKey of quinolin-8-yl 3-chloro-4-methoxybenzoate?
The InChIKey is IZVSNMMAWMKWRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClNO3/c1-21-14-8-7-12(10-13(14)18)17(20)22-15-6-2-4-11-5-3-9-19-16(11)15/h2-10H,1H3.
What are the key properties of quinolin-8-yl 3-chloro-4-methoxybenzoate?
quinolin-8-yl 3-chloro-4-methoxybenzoate has a molecular weight of 313.74 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for quinolin-8-yl 3-chloro-4-methoxybenzoate is sourced from PubChem (CID 712726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).