quinolin-8-yl (E)-3-phenylprop-2-enoate

C18H13NO2 — CID 701842

IUPACquinolin-8-yl (E)-3-phenylprop-2-enoate
SMILESO=C(/C=C/c1ccccc1)Oc1cccc2cccnc12
InChIInChI=1S/C18H13NO2/c20-17(12-11-14-6-2-1-3-7-14)21-16-10-4-8-15-9-5-13-19-18(15)16/h1-13H/b12-11+
InChIKeyMGYIGSPQIHQSAA-VAWYXSNFSA-N
MW275.31 g/mol
LogP3.85
Rot. Bonds3

About quinolin-8-yl (E)-3-phenylprop-2-enoate

quinolin-8-yl (E)-3-phenylprop-2-enoate (PubChem CID 701842) has the molecular formula C18H13NO2 and a molecular weight of 275.31 g/mol. Its IUPAC name is quinolin-8-yl (E)-3-phenylprop-2-enoate.

Molecular Properties

Compound Namequinolin-8-yl (E)-3-phenylprop-2-enoate
PubChem CID701842
Molecular FormulaC18H13NO2
Molecular Weight275.31 g/mol
Exact Mass275.09
IUPAC Namequinolin-8-yl (E)-3-phenylprop-2-enoate
SMILESO=C(/C=C/c1ccccc1)Oc1cccc2cccnc12
InChIInChI=1S/C18H13NO2/c20-17(12-11-14-6-2-1-3-7-14)21-16-10-4-8-15-9-5-13-19-18(15)16/h1-13H/b12-11+
InChIKeyMGYIGSPQIHQSAA-VAWYXSNFSA-N
XLogP3.85
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze quinolin-8-yl (E)-3-phenylprop-2-enoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of quinolin-8-yl (E)-3-phenylprop-2-enoate?
The IUPAC name of quinolin-8-yl (E)-3-phenylprop-2-enoate (CID 701842) is quinolin-8-yl (E)-3-phenylprop-2-enoate.
What is the SMILES notation for quinolin-8-yl (E)-3-phenylprop-2-enoate?
The canonical SMILES for quinolin-8-yl (E)-3-phenylprop-2-enoate is O=C(/C=C/c1ccccc1)Oc1cccc2cccnc12.
What is the InChIKey of quinolin-8-yl (E)-3-phenylprop-2-enoate?
The InChIKey is MGYIGSPQIHQSAA-VAWYXSNFSA-N. The full InChI is InChI=1S/C18H13NO2/c20-17(12-11-14-6-2-1-3-7-14)21-16-10-4-8-15-9-5-13-19-18(15)16/h1-13H/b12-11+.
What are the key properties of quinolin-8-yl (E)-3-phenylprop-2-enoate?
quinolin-8-yl (E)-3-phenylprop-2-enoate has a molecular weight of 275.31 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for quinolin-8-yl (E)-3-phenylprop-2-enoate is sourced from PubChem (CID 701842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).