phenyl quinoline-8-carboxylate

C16H11NO2 — CID 2227226

IUPACphenyl quinoline-8-carboxylate
SMILESO=C(Oc1ccccc1)c1cccc2cccnc12
InChIInChI=1S/C16H11NO2/c18-16(19-13-8-2-1-3-9-13)14-10-4-6-12-7-5-11-17-15(12)14/h1-11H
InChIKeyGPMDYHKFDVDMLK-UHFFFAOYSA-N
MW249.27 g/mol
LogP3.45
Rot. Bonds2

About phenyl quinoline-8-carboxylate

phenyl quinoline-8-carboxylate (PubChem CID 2227226) has the molecular formula C16H11NO2 and a molecular weight of 249.27 g/mol. Its IUPAC name is phenyl quinoline-8-carboxylate.

Molecular Properties

Compound Namephenyl quinoline-8-carboxylate
PubChem CID2227226
Molecular FormulaC16H11NO2
Molecular Weight249.27 g/mol
Exact Mass249.08
IUPAC Namephenyl quinoline-8-carboxylate
SMILESO=C(Oc1ccccc1)c1cccc2cccnc12
InChIInChI=1S/C16H11NO2/c18-16(19-13-8-2-1-3-9-13)14-10-4-6-12-7-5-11-17-15(12)14/h1-11H
InChIKeyGPMDYHKFDVDMLK-UHFFFAOYSA-N
XLogP3.45
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze phenyl quinoline-8-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-(trifluoromethyl)phenyl] quinoline-8-carboxylate
CID 174629555
diquinolin-8-yl benzene-1,2-dicarboxylate
CID 154085915
palladium;quinoline-8-carboxylic acid
CID 174945118
phenyl 8-hydroxynaphthalene-1-carboxylate
CID 67908081
2-phenyl-1-quinolin-8-ylethanone
CID 10999362
pyrimidin-2-yl(quinolin-8-yl)methanone
CID 81220703
phenyl 9-[3-(6-phenoxycarbonyl-1,10-phenanthrolin-2-yl)phenyl]-1,10-phenanthroline-5-carboxylate
CID 118448725
quinolin-8-yl 2-ethenylbenzoate
CID 162003110
1-quinolin-8-ylprop-2-yn-1-one
CID 105108252
(2-ethoxy-2-oxoethyl) quinoline-8-carboxylate
CID 156784180
(2-methoxyphenyl)-quinolin-8-ylmethanone
CID 81215631
diphenyl benzene-1,2-dicarboxylate;phenol
CID 174922398

Frequently Asked Questions

What is the IUPAC name of phenyl quinoline-8-carboxylate?
The IUPAC name of phenyl quinoline-8-carboxylate (CID 2227226) is phenyl quinoline-8-carboxylate.
What is the SMILES notation for phenyl quinoline-8-carboxylate?
The canonical SMILES for phenyl quinoline-8-carboxylate is O=C(Oc1ccccc1)c1cccc2cccnc12.
What is the InChIKey of phenyl quinoline-8-carboxylate?
The InChIKey is GPMDYHKFDVDMLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11NO2/c18-16(19-13-8-2-1-3-9-13)14-10-4-6-12-7-5-11-17-15(12)14/h1-11H.
What are the key properties of phenyl quinoline-8-carboxylate?
phenyl quinoline-8-carboxylate has a molecular weight of 249.27 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl quinoline-8-carboxylate is sourced from PubChem (CID 2227226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).