quinolin-8-yl 4-methoxybenzoate

C17H13NO3 — CID 792296

IUPACquinolin-8-yl 4-methoxybenzoate
SMILESCOc1ccc(C(=O)Oc2cccc3cccnc23)cc1
InChIInChI=1S/C17H13NO3/c1-20-14-9-7-13(8-10-14)17(19)21-15-6-2-4-12-5-3-11-18-16(12)15/h2-11H,1H3
InChIKeyIBTFWIKVTOHVTM-UHFFFAOYSA-N
MW279.30 g/mol
LogP3.46
Rot. Bonds3

About quinolin-8-yl 4-methoxybenzoate

quinolin-8-yl 4-methoxybenzoate (PubChem CID 792296) has the molecular formula C17H13NO3 and a molecular weight of 279.30 g/mol. Its IUPAC name is quinolin-8-yl 4-methoxybenzoate.

Molecular Properties

Compound Namequinolin-8-yl 4-methoxybenzoate
PubChem CID792296
Molecular FormulaC17H13NO3
Molecular Weight279.30 g/mol
Exact Mass279.09
IUPAC Namequinolin-8-yl 4-methoxybenzoate
SMILESCOc1ccc(C(=O)Oc2cccc3cccnc23)cc1
InChIInChI=1S/C17H13NO3/c1-20-14-9-7-13(8-10-14)17(19)21-15-6-2-4-12-5-3-11-18-16(12)15/h2-11H,1H3
InChIKeyIBTFWIKVTOHVTM-UHFFFAOYSA-N
XLogP3.46
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 4-methoxybenzoate?
The IUPAC name of quinolin-8-yl 4-methoxybenzoate (CID 792296) is quinolin-8-yl 4-methoxybenzoate.
What is the SMILES notation for quinolin-8-yl 4-methoxybenzoate?
The canonical SMILES for quinolin-8-yl 4-methoxybenzoate is COc1ccc(C(=O)Oc2cccc3cccnc23)cc1.
What is the InChIKey of quinolin-8-yl 4-methoxybenzoate?
The InChIKey is IBTFWIKVTOHVTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO3/c1-20-14-9-7-13(8-10-14)17(19)21-15-6-2-4-12-5-3-11-18-16(12)15/h2-11H,1H3.
What are the key properties of quinolin-8-yl 4-methoxybenzoate?
quinolin-8-yl 4-methoxybenzoate has a molecular weight of 279.30 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for quinolin-8-yl 4-methoxybenzoate is sourced from PubChem (CID 792296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).