ethyl 3-quinolin-4-yloxybenzoate

C18H15NO3 — CID 155778880

IUPACethyl 3-quinolin-4-yloxybenzoate
SMILESCCOC(=O)c1cccc(Oc2ccnc3ccccc23)c1
InChIInChI=1S/C18H15NO3/c1-2-21-18(20)13-6-5-7-14(12-13)22-17-10-11-19-16-9-4-3-8-15(16)17/h3-12H,2H2,1H3
InChIKeyFDYSZJMRAQBSSP-UHFFFAOYSA-N
MW293.32 g/mol
LogP4.20
Rot. Bonds4

About ethyl 3-quinolin-4-yloxybenzoate

ethyl 3-quinolin-4-yloxybenzoate (PubChem CID 155778880) has the molecular formula C18H15NO3 and a molecular weight of 293.32 g/mol. Its IUPAC name is ethyl 3-quinolin-4-yloxybenzoate.

Molecular Properties

Compound Nameethyl 3-quinolin-4-yloxybenzoate
PubChem CID155778880
Molecular FormulaC18H15NO3
Molecular Weight293.32 g/mol
Exact Mass293.11
IUPAC Nameethyl 3-quinolin-4-yloxybenzoate
SMILESCCOC(=O)c1cccc(Oc2ccnc3ccccc23)c1
InChIInChI=1S/C18H15NO3/c1-2-21-18(20)13-6-5-7-14(12-13)22-17-10-11-19-16-9-4-3-8-15(16)17/h3-12H,2H2,1H3
InChIKeyFDYSZJMRAQBSSP-UHFFFAOYSA-N
XLogP4.20
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Benzoxiquine
CID 6855
Ethyl 4-chloro-6-methoxyquinoline-3-carboxylate
CID 304558
2-(4-Ethoxyphenyl)quinoline-4-carboxylic acid
CID 673734
Quininic acid
CID 345824
Methyl 4-{3-[3-benzoyl-8-(trifluoromethyl)quinolin-4-yl]phenoxymethyl}benzoate
CID 16090326
Methyl 3-{3-[3-benzyl-8-(trifluoromethyl)quinolin-4-yl]phenoxy}benzoate
CID 44472980
3-Methyl quinoline, 8b
CID 44472985
Methyl 3-[3-(8-chloro-3-methylquinolin-4-yl)phenoxy]benzoate
CID 44472988
3-Methylbut-2-enyl 4-methoxy-8-(3-methylbut-2-enoxy)quinoline-2-carboxylate
CID 46910769
8-quinolyl (2Z)-3-phenylprop-2-enoate
CID 1550199
Ethyl 1-[6-ethoxy-3-(4-methylbenzoyl)quinolin-4-yl]piperidine-3-carboxylate
CID 16010859
6-Methoxyquinoline-4-carboxaldehyde
CID 219312

Frequently Asked Questions

What is the IUPAC name of ethyl 3-quinolin-4-yloxybenzoate?
The IUPAC name of ethyl 3-quinolin-4-yloxybenzoate (CID 155778880) is ethyl 3-quinolin-4-yloxybenzoate.
What is the SMILES notation for ethyl 3-quinolin-4-yloxybenzoate?
The canonical SMILES for ethyl 3-quinolin-4-yloxybenzoate is CCOC(=O)c1cccc(Oc2ccnc3ccccc23)c1.
What is the InChIKey of ethyl 3-quinolin-4-yloxybenzoate?
The InChIKey is FDYSZJMRAQBSSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO3/c1-2-21-18(20)13-6-5-7-14(12-13)22-17-10-11-19-16-9-4-3-8-15(16)17/h3-12H,2H2,1H3.
What are the key properties of ethyl 3-quinolin-4-yloxybenzoate?
ethyl 3-quinolin-4-yloxybenzoate has a molecular weight of 293.32 g/mol, XLogP of 4.20, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-quinolin-4-yloxybenzoate is sourced from PubChem (CID 155778880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).