ethyl 3-phenylmethoxyquinoline-2-carboxylate

C19H17NO3 — CID 134913973

IUPACethyl 3-phenylmethoxyquinoline-2-carboxylate
SMILESCCOC(=O)c1nc2ccccc2cc1OCc1ccccc1
InChIInChI=1S/C19H17NO3/c1-2-22-19(21)18-17(23-13-14-8-4-3-5-9-14)12-15-10-6-7-11-16(15)20-18/h3-12H,2,13H2,1H3
InChIKeyIEVITQILBKBJDR-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.99
Rot. Bonds5

About ethyl 3-phenylmethoxyquinoline-2-carboxylate

ethyl 3-phenylmethoxyquinoline-2-carboxylate (PubChem CID 134913973) has the molecular formula C19H17NO3 and a molecular weight of 307.35 g/mol. Its IUPAC name is ethyl 3-phenylmethoxyquinoline-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-phenylmethoxyquinoline-2-carboxylate
PubChem CID134913973
Molecular FormulaC19H17NO3
Molecular Weight307.35 g/mol
Exact Mass307.12
IUPAC Nameethyl 3-phenylmethoxyquinoline-2-carboxylate
SMILESCCOC(=O)c1nc2ccccc2cc1OCc1ccccc1
InChIInChI=1S/C19H17NO3/c1-2-22-19(21)18-17(23-13-14-8-4-3-5-9-14)12-15-10-6-7-11-16(15)20-18/h3-12H,2,13H2,1H3
InChIKeyIEVITQILBKBJDR-UHFFFAOYSA-N
XLogP3.99
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 3-phenylmethoxyquinoline-2-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 3-phenylmethoxyquinoline-2-carboxylate?
The IUPAC name of ethyl 3-phenylmethoxyquinoline-2-carboxylate (CID 134913973) is ethyl 3-phenylmethoxyquinoline-2-carboxylate.
What is the SMILES notation for ethyl 3-phenylmethoxyquinoline-2-carboxylate?
The canonical SMILES for ethyl 3-phenylmethoxyquinoline-2-carboxylate is CCOC(=O)c1nc2ccccc2cc1OCc1ccccc1.
What is the InChIKey of ethyl 3-phenylmethoxyquinoline-2-carboxylate?
The InChIKey is IEVITQILBKBJDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3/c1-2-22-19(21)18-17(23-13-14-8-4-3-5-9-14)12-15-10-6-7-11-16(15)20-18/h3-12H,2,13H2,1H3.
What are the key properties of ethyl 3-phenylmethoxyquinoline-2-carboxylate?
ethyl 3-phenylmethoxyquinoline-2-carboxylate has a molecular weight of 307.35 g/mol, XLogP of 3.99, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-phenylmethoxyquinoline-2-carboxylate is sourced from PubChem (CID 134913973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).