ethyl 2-phenylquinoline-4-carboxylate

C18H15NO2 — CID 4119122

IUPACethyl 2-phenylquinoline-4-carboxylate
SMILESCCOC(=O)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C18H15NO2/c1-2-21-18(20)15-12-17(13-8-4-3-5-9-13)19-16-11-7-6-10-14(15)16/h3-12H,2H2,1H3
InChIKeyBUQNPWJQTNKRJA-UHFFFAOYSA-N
MW277.32 g/mol
LogP4.08
Rot. Bonds3

About ethyl 2-phenylquinoline-4-carboxylate

ethyl 2-phenylquinoline-4-carboxylate (PubChem CID 4119122) has the molecular formula C18H15NO2 and a molecular weight of 277.32 g/mol. Its IUPAC name is ethyl 2-phenylquinoline-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-phenylquinoline-4-carboxylate
PubChem CID4119122
Molecular FormulaC18H15NO2
Molecular Weight277.32 g/mol
Exact Mass277.11
IUPAC Nameethyl 2-phenylquinoline-4-carboxylate
SMILESCCOC(=O)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C18H15NO2/c1-2-21-18(20)15-12-17(13-8-4-3-5-9-13)19-16-11-7-6-10-14(15)16/h3-12H,2H2,1H3
InChIKeyBUQNPWJQTNKRJA-UHFFFAOYSA-N
XLogP4.08
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 2-phenylquinoline-4-carboxylate 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 ethyl 2-phenylquinoline-4-carboxylate?
The IUPAC name of ethyl 2-phenylquinoline-4-carboxylate (CID 4119122) is ethyl 2-phenylquinoline-4-carboxylate.
What is the SMILES notation for ethyl 2-phenylquinoline-4-carboxylate?
The canonical SMILES for ethyl 2-phenylquinoline-4-carboxylate is CCOC(=O)c1cc(-c2ccccc2)nc2ccccc12.
What is the InChIKey of ethyl 2-phenylquinoline-4-carboxylate?
The InChIKey is BUQNPWJQTNKRJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO2/c1-2-21-18(20)15-12-17(13-8-4-3-5-9-13)19-16-11-7-6-10-14(15)16/h3-12H,2H2,1H3.
What are the key properties of ethyl 2-phenylquinoline-4-carboxylate?
ethyl 2-phenylquinoline-4-carboxylate has a molecular weight of 277.32 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-phenylquinoline-4-carboxylate is sourced from PubChem (CID 4119122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).