ethyl 6-fluoro-4-(2-phenylethylamino)quinoline-3-carboxylate

C20H19FN2O2 — CID 732003

IUPACethyl 6-fluoro-4-(2-phenylethylamino)quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2ccc(F)cc2c1NCCc1ccccc1
InChIInChI=1S/C20H19FN2O2/c1-2-25-20(24)17-13-23-18-9-8-15(21)12-16(18)19(17)22-11-10-14-6-4-3-5-7-14/h3-9,12-13H,2,10-11H2,1H3,(H,22,23)
InChIKeyWAIVQZKXEKAAOK-UHFFFAOYSA-N
MW338.38 g/mol
LogP4.21
Rot. Bonds6

About ethyl 6-fluoro-4-(2-phenylethylamino)quinoline-3-carboxylate

ethyl 6-fluoro-4-(2-phenylethylamino)quinoline-3-carboxylate (PubChem CID 732003) has the molecular formula C20H19FN2O2 and a molecular weight of 338.38 g/mol. Its IUPAC name is ethyl 6-fluoro-4-(2-phenylethylamino)quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-fluoro-4-(2-phenylethylamino)quinoline-3-carboxylate
PubChem CID732003
Molecular FormulaC20H19FN2O2
Molecular Weight338.38 g/mol
Exact Mass338.14
IUPAC Nameethyl 6-fluoro-4-(2-phenylethylamino)quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2ccc(F)cc2c1NCCc1ccccc1
InChIInChI=1S/C20H19FN2O2/c1-2-25-20(24)17-13-23-18-9-8-15(21)12-16(18)19(17)22-11-10-14-6-4-3-5-7-14/h3-9,12-13H,2,10-11H2,1H3,(H,22,23)
InChIKeyWAIVQZKXEKAAOK-UHFFFAOYSA-N
XLogP4.21
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.38
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-fluoro-4-(2-phenylethylamino)quinoline-3-carboxylate?
The IUPAC name of ethyl 6-fluoro-4-(2-phenylethylamino)quinoline-3-carboxylate (CID 732003) is ethyl 6-fluoro-4-(2-phenylethylamino)quinoline-3-carboxylate.
What is the SMILES notation for ethyl 6-fluoro-4-(2-phenylethylamino)quinoline-3-carboxylate?
The canonical SMILES for ethyl 6-fluoro-4-(2-phenylethylamino)quinoline-3-carboxylate is CCOC(=O)c1cnc2ccc(F)cc2c1NCCc1ccccc1.
What is the InChIKey of ethyl 6-fluoro-4-(2-phenylethylamino)quinoline-3-carboxylate?
The InChIKey is WAIVQZKXEKAAOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O2/c1-2-25-20(24)17-13-23-18-9-8-15(21)12-16(18)19(17)22-11-10-14-6-4-3-5-7-14/h3-9,12-13H,2,10-11H2,1H3,(H,22,23).
What are the key properties of ethyl 6-fluoro-4-(2-phenylethylamino)quinoline-3-carboxylate?
ethyl 6-fluoro-4-(2-phenylethylamino)quinoline-3-carboxylate has a molecular weight of 338.38 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-fluoro-4-(2-phenylethylamino)quinoline-3-carboxylate is sourced from PubChem (CID 732003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).