methyl 3-quinolin-8-ylbenzoate

C17H13NO2 — CID 4189037

IUPACmethyl 3-quinolin-8-ylbenzoate
SMILESCOC(=O)c1cccc(-c2cccc3cccnc23)c1
InChIInChI=1S/C17H13NO2/c1-20-17(19)14-7-2-6-13(11-14)15-9-3-5-12-8-4-10-18-16(12)15/h2-11H,1H3
InChIKeyOTTUXFTVRGCQCE-UHFFFAOYSA-N
MW263.30 g/mol
LogP3.69
Rot. Bonds2

About methyl 3-quinolin-8-ylbenzoate

methyl 3-quinolin-8-ylbenzoate (PubChem CID 4189037) has the molecular formula C17H13NO2 and a molecular weight of 263.30 g/mol. Its IUPAC name is methyl 3-quinolin-8-ylbenzoate.

Molecular Properties

Compound Namemethyl 3-quinolin-8-ylbenzoate
PubChem CID4189037
Molecular FormulaC17H13NO2
Molecular Weight263.30 g/mol
Exact Mass263.09
IUPAC Namemethyl 3-quinolin-8-ylbenzoate
SMILESCOC(=O)c1cccc(-c2cccc3cccnc23)c1
InChIInChI=1S/C17H13NO2/c1-20-17(19)14-7-2-6-13(11-14)15-9-3-5-12-8-4-10-18-16(12)15/h2-11H,1H3
InChIKeyOTTUXFTVRGCQCE-UHFFFAOYSA-N
XLogP3.69
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 3-quinolin-8-ylbenzoate?
The IUPAC name of methyl 3-quinolin-8-ylbenzoate (CID 4189037) is methyl 3-quinolin-8-ylbenzoate.
What is the SMILES notation for methyl 3-quinolin-8-ylbenzoate?
The canonical SMILES for methyl 3-quinolin-8-ylbenzoate is COC(=O)c1cccc(-c2cccc3cccnc23)c1.
What is the InChIKey of methyl 3-quinolin-8-ylbenzoate?
The InChIKey is OTTUXFTVRGCQCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO2/c1-20-17(19)14-7-2-6-13(11-14)15-9-3-5-12-8-4-10-18-16(12)15/h2-11H,1H3.
What are the key properties of methyl 3-quinolin-8-ylbenzoate?
methyl 3-quinolin-8-ylbenzoate has a molecular weight of 263.30 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-quinolin-8-ylbenzoate is sourced from PubChem (CID 4189037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).