ethyl 7-[4-[(4-fluorophenyl)methoxy]-2-oxo-1-pyridinyl]isoquinoline-3-carboxylate

C24H19FN2O4 — CID 69084633

IUPACethyl 7-[4-[(4-fluorophenyl)methoxy]-2-oxo-1-pyridinyl]isoquinoline-3-carboxylate
SMILESCCOC(=O)c1cc2ccc(-n3ccc(OCc4ccc(F)cc4)cc3=O)cc2cn1
InChIInChI=1S/C24H19FN2O4/c1-2-30-24(29)22-12-17-5-8-20(11-18(17)14-26-22)27-10-9-21(13-23(27)28)31-15-16-3-6-19(25)7-4-16/h3-14H,2,15H2,1H3
InChIKeyPXYYVHSBNLUJBL-UHFFFAOYSA-N
MW418.42 g/mol
LogP4.28
Rot. Bonds6

About ethyl 7-[4-[(4-fluorophenyl)methoxy]-2-oxo-1-pyridinyl]isoquinoline-3-carboxylate

ethyl 7-[4-[(4-fluorophenyl)methoxy]-2-oxo-1-pyridinyl]isoquinoline-3-carboxylate (PubChem CID 69084633) has the molecular formula C24H19FN2O4 and a molecular weight of 418.42 g/mol. Its IUPAC name is ethyl 7-[4-[(4-fluorophenyl)methoxy]-2-oxo-1-pyridinyl]isoquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 7-[4-[(4-fluorophenyl)methoxy]-2-oxo-1-pyridinyl]isoquinoline-3-carboxylate
PubChem CID69084633
Molecular FormulaC24H19FN2O4
Molecular Weight418.42 g/mol
Exact Mass418.13
IUPAC Nameethyl 7-[4-[(4-fluorophenyl)methoxy]-2-oxo-1-pyridinyl]isoquinoline-3-carboxylate
SMILESCCOC(=O)c1cc2ccc(-n3ccc(OCc4ccc(F)cc4)cc3=O)cc2cn1
InChIInChI=1S/C24H19FN2O4/c1-2-30-24(29)22-12-17-5-8-20(11-18(17)14-26-22)27-10-9-21(13-23(27)28)31-15-16-3-6-19(25)7-4-16/h3-14H,2,15H2,1H3
InChIKeyPXYYVHSBNLUJBL-UHFFFAOYSA-N
XLogP4.28
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.42
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 7-[4-[(4-fluorophenyl)methoxy]-2-oxo-1-pyridinyl]isoquinoline-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-[4-[(4-fluorophenyl)methoxy]-2-oxo-1-pyridinyl]isoquinoline-3-carboxylate?
The IUPAC name of ethyl 7-[4-[(4-fluorophenyl)methoxy]-2-oxo-1-pyridinyl]isoquinoline-3-carboxylate (CID 69084633) is ethyl 7-[4-[(4-fluorophenyl)methoxy]-2-oxo-1-pyridinyl]isoquinoline-3-carboxylate.
What is the SMILES notation for ethyl 7-[4-[(4-fluorophenyl)methoxy]-2-oxo-1-pyridinyl]isoquinoline-3-carboxylate?
The canonical SMILES for ethyl 7-[4-[(4-fluorophenyl)methoxy]-2-oxo-1-pyridinyl]isoquinoline-3-carboxylate is CCOC(=O)c1cc2ccc(-n3ccc(OCc4ccc(F)cc4)cc3=O)cc2cn1.
What is the InChIKey of ethyl 7-[4-[(4-fluorophenyl)methoxy]-2-oxo-1-pyridinyl]isoquinoline-3-carboxylate?
The InChIKey is PXYYVHSBNLUJBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN2O4/c1-2-30-24(29)22-12-17-5-8-20(11-18(17)14-26-22)27-10-9-21(13-23(27)28)31-15-16-3-6-19(25)7-4-16/h3-14H,2,15H2,1H3.
What are the key properties of ethyl 7-[4-[(4-fluorophenyl)methoxy]-2-oxo-1-pyridinyl]isoquinoline-3-carboxylate?
ethyl 7-[4-[(4-fluorophenyl)methoxy]-2-oxo-1-pyridinyl]isoquinoline-3-carboxylate has a molecular weight of 418.42 g/mol, XLogP of 4.28, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-[4-[(4-fluorophenyl)methoxy]-2-oxo-1-pyridinyl]isoquinoline-3-carboxylate is sourced from PubChem (CID 69084633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).