ethyl 7-[(3-chloro-5-fluorophenyl)methoxy]quinoline-3-carboxylate

C19H15ClFNO3 — CID 86300871

IUPACethyl 7-[(3-chloro-5-fluorophenyl)methoxy]quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2cc(OCc3cc(F)cc(Cl)c3)ccc2c1
InChIInChI=1S/C19H15ClFNO3/c1-2-24-19(23)14-7-13-3-4-17(9-18(13)22-10-14)25-11-12-5-15(20)8-16(21)6-12/h3-10H,2,11H2,1H3
InChIKeyTYTLOWMVCNILQB-UHFFFAOYSA-N
MW359.78 g/mol
LogP4.78
Rot. Bonds5

About ethyl 7-[(3-chloro-5-fluorophenyl)methoxy]quinoline-3-carboxylate

ethyl 7-[(3-chloro-5-fluorophenyl)methoxy]quinoline-3-carboxylate (PubChem CID 86300871) has the molecular formula C19H15ClFNO3 and a molecular weight of 359.78 g/mol. Its IUPAC name is ethyl 7-[(3-chloro-5-fluorophenyl)methoxy]quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 7-[(3-chloro-5-fluorophenyl)methoxy]quinoline-3-carboxylate
PubChem CID86300871
Molecular FormulaC19H15ClFNO3
Molecular Weight359.78 g/mol
Exact Mass359.07
IUPAC Nameethyl 7-[(3-chloro-5-fluorophenyl)methoxy]quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2cc(OCc3cc(F)cc(Cl)c3)ccc2c1
InChIInChI=1S/C19H15ClFNO3/c1-2-24-19(23)14-7-13-3-4-17(9-18(13)22-10-14)25-11-12-5-15(20)8-16(21)6-12/h3-10H,2,11H2,1H3
InChIKeyTYTLOWMVCNILQB-UHFFFAOYSA-N
XLogP4.78
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.78
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 7-[(3-chloro-5-fluorophenyl)methoxy]quinoline-3-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 7-[(3-chloro-5-fluorophenyl)methoxy]quinoline-3-carboxylate?
The IUPAC name of ethyl 7-[(3-chloro-5-fluorophenyl)methoxy]quinoline-3-carboxylate (CID 86300871) is ethyl 7-[(3-chloro-5-fluorophenyl)methoxy]quinoline-3-carboxylate.
What is the SMILES notation for ethyl 7-[(3-chloro-5-fluorophenyl)methoxy]quinoline-3-carboxylate?
The canonical SMILES for ethyl 7-[(3-chloro-5-fluorophenyl)methoxy]quinoline-3-carboxylate is CCOC(=O)c1cnc2cc(OCc3cc(F)cc(Cl)c3)ccc2c1.
What is the InChIKey of ethyl 7-[(3-chloro-5-fluorophenyl)methoxy]quinoline-3-carboxylate?
The InChIKey is TYTLOWMVCNILQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFNO3/c1-2-24-19(23)14-7-13-3-4-17(9-18(13)22-10-14)25-11-12-5-15(20)8-16(21)6-12/h3-10H,2,11H2,1H3.
What are the key properties of ethyl 7-[(3-chloro-5-fluorophenyl)methoxy]quinoline-3-carboxylate?
ethyl 7-[(3-chloro-5-fluorophenyl)methoxy]quinoline-3-carboxylate has a molecular weight of 359.78 g/mol, XLogP of 4.78, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-[(3-chloro-5-fluorophenyl)methoxy]quinoline-3-carboxylate is sourced from PubChem (CID 86300871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).