[2-(diethylamino)phenyl]methyl 7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate

C21H23FN2O3 — CID 47074089

IUPAC[2-(diethylamino)phenyl]methyl 7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate
SMILESCCN(CC)c1ccccc1COC(=O)C1CC(=O)Nc2cc(F)ccc21
InChIInChI=1S/C21H23FN2O3/c1-3-24(4-2)19-8-6-5-7-14(19)13-27-21(26)17-12-20(25)23-18-11-15(22)9-10-16(17)18/h5-11,17H,3-4,12-13H2,1-2H3,(H,23,25)
InChIKeyONQUZFHZLJRKIX-UHFFFAOYSA-N
MW370.42 g/mol
LogP3.84
Rot. Bonds6

About [2-(diethylamino)phenyl]methyl 7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate

[2-(diethylamino)phenyl]methyl 7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate (PubChem CID 47074089) has the molecular formula C21H23FN2O3 and a molecular weight of 370.42 g/mol. Its IUPAC name is [2-(diethylamino)phenyl]methyl 7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate.

Molecular Properties

Compound Name[2-(diethylamino)phenyl]methyl 7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate
PubChem CID47074089
Molecular FormulaC21H23FN2O3
Molecular Weight370.42 g/mol
Exact Mass370.17
IUPAC Name[2-(diethylamino)phenyl]methyl 7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate
SMILESCCN(CC)c1ccccc1COC(=O)C1CC(=O)Nc2cc(F)ccc21
InChIInChI=1S/C21H23FN2O3/c1-3-24(4-2)19-8-6-5-7-14(19)13-27-21(26)17-12-20(25)23-18-11-15(22)9-10-16(17)18/h5-11,17H,3-4,12-13H2,1-2H3,(H,23,25)
InChIKeyONQUZFHZLJRKIX-UHFFFAOYSA-N
XLogP3.84
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(diethylamino)phenyl]methyl 7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate?
The IUPAC name of [2-(diethylamino)phenyl]methyl 7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate (CID 47074089) is [2-(diethylamino)phenyl]methyl 7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate.
What is the SMILES notation for [2-(diethylamino)phenyl]methyl 7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate?
The canonical SMILES for [2-(diethylamino)phenyl]methyl 7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate is CCN(CC)c1ccccc1COC(=O)C1CC(=O)Nc2cc(F)ccc21.
What is the InChIKey of [2-(diethylamino)phenyl]methyl 7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate?
The InChIKey is ONQUZFHZLJRKIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O3/c1-3-24(4-2)19-8-6-5-7-14(19)13-27-21(26)17-12-20(25)23-18-11-15(22)9-10-16(17)18/h5-11,17H,3-4,12-13H2,1-2H3,(H,23,25).
What are the key properties of [2-(diethylamino)phenyl]methyl 7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate?
[2-(diethylamino)phenyl]methyl 7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate has a molecular weight of 370.42 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(diethylamino)phenyl]methyl 7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxylate is sourced from PubChem (CID 47074089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).