ethyl 6-fluoro-7-methoxy-4-oxo-2-(3-phenylphenyl)-1H-quinoline-3-carboxylate

C25H20FNO4 — CID 71451663

IUPACethyl 6-fluoro-7-methoxy-4-oxo-2-(3-phenylphenyl)-1H-quinoline-3-carboxylate
SMILESCCOC(=O)c1c(-c2cccc(-c3ccccc3)c2)[nH]c2cc(OC)c(F)cc2c1=O
InChIInChI=1S/C25H20FNO4/c1-3-31-25(29)22-23(17-11-7-10-16(12-17)15-8-5-4-6-9-15)27-20-14-21(30-2)19(26)13-18(20)24(22)28/h4-14H,3H2,1-2H3,(H,27,28)
InChIKeySWYDNUMNURIDHT-UHFFFAOYSA-N
MW417.44 g/mol
LogP5.19
Rot. Bonds5

About ethyl 6-fluoro-7-methoxy-4-oxo-2-(3-phenylphenyl)-1H-quinoline-3-carboxylate

ethyl 6-fluoro-7-methoxy-4-oxo-2-(3-phenylphenyl)-1H-quinoline-3-carboxylate (PubChem CID 71451663) has the molecular formula C25H20FNO4 and a molecular weight of 417.44 g/mol. Its IUPAC name is ethyl 6-fluoro-7-methoxy-4-oxo-2-(3-phenylphenyl)-1H-quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-fluoro-7-methoxy-4-oxo-2-(3-phenylphenyl)-1H-quinoline-3-carboxylate
PubChem CID71451663
Molecular FormulaC25H20FNO4
Molecular Weight417.44 g/mol
Exact Mass417.14
IUPAC Nameethyl 6-fluoro-7-methoxy-4-oxo-2-(3-phenylphenyl)-1H-quinoline-3-carboxylate
SMILESCCOC(=O)c1c(-c2cccc(-c3ccccc3)c2)[nH]c2cc(OC)c(F)cc2c1=O
InChIInChI=1S/C25H20FNO4/c1-3-31-25(29)22-23(17-11-7-10-16(12-17)15-8-5-4-6-9-15)27-20-14-21(30-2)19(26)13-18(20)24(22)28/h4-14H,3H2,1-2H3,(H,27,28)
InChIKeySWYDNUMNURIDHT-UHFFFAOYSA-N
XLogP5.19
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.44
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 6-fluoro-7-methoxy-4-oxo-2-(3-phenylphenyl)-1H-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 6-fluoro-7-methoxy-4-oxo-2-(3-phenylphenyl)-1H-quinoline-3-carboxylate?
The IUPAC name of ethyl 6-fluoro-7-methoxy-4-oxo-2-(3-phenylphenyl)-1H-quinoline-3-carboxylate (CID 71451663) is ethyl 6-fluoro-7-methoxy-4-oxo-2-(3-phenylphenyl)-1H-quinoline-3-carboxylate.
What is the SMILES notation for ethyl 6-fluoro-7-methoxy-4-oxo-2-(3-phenylphenyl)-1H-quinoline-3-carboxylate?
The canonical SMILES for ethyl 6-fluoro-7-methoxy-4-oxo-2-(3-phenylphenyl)-1H-quinoline-3-carboxylate is CCOC(=O)c1c(-c2cccc(-c3ccccc3)c2)[nH]c2cc(OC)c(F)cc2c1=O.
What is the InChIKey of ethyl 6-fluoro-7-methoxy-4-oxo-2-(3-phenylphenyl)-1H-quinoline-3-carboxylate?
The InChIKey is SWYDNUMNURIDHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FNO4/c1-3-31-25(29)22-23(17-11-7-10-16(12-17)15-8-5-4-6-9-15)27-20-14-21(30-2)19(26)13-18(20)24(22)28/h4-14H,3H2,1-2H3,(H,27,28).
What are the key properties of ethyl 6-fluoro-7-methoxy-4-oxo-2-(3-phenylphenyl)-1H-quinoline-3-carboxylate?
ethyl 6-fluoro-7-methoxy-4-oxo-2-(3-phenylphenyl)-1H-quinoline-3-carboxylate has a molecular weight of 417.44 g/mol, XLogP of 5.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-fluoro-7-methoxy-4-oxo-2-(3-phenylphenyl)-1H-quinoline-3-carboxylate is sourced from PubChem (CID 71451663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).