methyl 4-quinolin-4-yloxybenzoate

C17H13NO3 — CID 65019223

IUPACmethyl 4-quinolin-4-yloxybenzoate
SMILESCOC(=O)c1ccc(Oc2ccnc3ccccc23)cc1
InChIInChI=1S/C17H13NO3/c1-20-17(19)12-6-8-13(9-7-12)21-16-10-11-18-15-5-3-2-4-14(15)16/h2-11H,1H3
InChIKeyCFAVGNFNCCNPJM-UHFFFAOYSA-N
MW279.30 g/mol
LogP3.81
Rot. Bonds3

About methyl 4-quinolin-4-yloxybenzoate

methyl 4-quinolin-4-yloxybenzoate (PubChem CID 65019223) has the molecular formula C17H13NO3 and a molecular weight of 279.30 g/mol. Its IUPAC name is methyl 4-quinolin-4-yloxybenzoate.

Molecular Properties

Compound Namemethyl 4-quinolin-4-yloxybenzoate
PubChem CID65019223
Molecular FormulaC17H13NO3
Molecular Weight279.30 g/mol
Exact Mass279.09
IUPAC Namemethyl 4-quinolin-4-yloxybenzoate
SMILESCOC(=O)c1ccc(Oc2ccnc3ccccc23)cc1
InChIInChI=1S/C17H13NO3/c1-20-17(19)12-6-8-13(9-7-12)21-16-10-11-18-15-5-3-2-4-14(15)16/h2-11H,1H3
InChIKeyCFAVGNFNCCNPJM-UHFFFAOYSA-N
XLogP3.81
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 ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-quinolin-4-yloxybenzoate?
The IUPAC name of methyl 4-quinolin-4-yloxybenzoate (CID 65019223) is methyl 4-quinolin-4-yloxybenzoate.
What is the SMILES notation for methyl 4-quinolin-4-yloxybenzoate?
The canonical SMILES for methyl 4-quinolin-4-yloxybenzoate is COC(=O)c1ccc(Oc2ccnc3ccccc23)cc1.
What is the InChIKey of methyl 4-quinolin-4-yloxybenzoate?
The InChIKey is CFAVGNFNCCNPJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO3/c1-20-17(19)12-6-8-13(9-7-12)21-16-10-11-18-15-5-3-2-4-14(15)16/h2-11H,1H3.
What are the key properties of methyl 4-quinolin-4-yloxybenzoate?
methyl 4-quinolin-4-yloxybenzoate has a molecular weight of 279.30 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-quinolin-4-yloxybenzoate is sourced from PubChem (CID 65019223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).