ethyl 4-(4-fluorophenyl)-6-methyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-oxo-3,4-dihydropyridine-5-carboxylate

C21H25FN2O5 — CID 42761312

IUPACethyl 4-(4-fluorophenyl)-6-methyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-oxo-3,4-dihydropyridine-5-carboxylate
SMILESCCOC(=O)C1=C(C)N(CC(=O)N2CCOCC2)C(=O)CC1c1ccc(F)cc1
InChIInChI=1S/C21H25FN2O5/c1-3-29-21(27)20-14(2)24(13-19(26)23-8-10-28-11-9-23)18(25)12-17(20)15-4-6-16(22)7-5-15/h4-7,17H,3,8-13H2,1-2H3
InChIKeyBTXHOKXDZQHJLR-UHFFFAOYSA-N
MW404.44 g/mol
LogP1.84
Rot. Bonds5

About ethyl 4-(4-fluorophenyl)-6-methyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-oxo-3,4-dihydropyridine-5-carboxylate

ethyl 4-(4-fluorophenyl)-6-methyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-oxo-3,4-dihydropyridine-5-carboxylate (PubChem CID 42761312) has the molecular formula C21H25FN2O5 and a molecular weight of 404.44 g/mol. Its IUPAC name is ethyl 4-(4-fluorophenyl)-6-methyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-oxo-3,4-dihydropyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-fluorophenyl)-6-methyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-oxo-3,4-dihydropyridine-5-carboxylate
PubChem CID42761312
Molecular FormulaC21H25FN2O5
Molecular Weight404.44 g/mol
Exact Mass404.17
IUPAC Nameethyl 4-(4-fluorophenyl)-6-methyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-oxo-3,4-dihydropyridine-5-carboxylate
SMILESCCOC(=O)C1=C(C)N(CC(=O)N2CCOCC2)C(=O)CC1c1ccc(F)cc1
InChIInChI=1S/C21H25FN2O5/c1-3-29-21(27)20-14(2)24(13-19(26)23-8-10-28-11-9-23)18(25)12-17(20)15-4-6-16(22)7-5-15/h4-7,17H,3,8-13H2,1-2H3
InChIKeyBTXHOKXDZQHJLR-UHFFFAOYSA-N
XLogP1.84
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.44
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 4-(4-fluorophenyl)-6-methyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-oxo-3,4-dihydropyridine-5-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-fluorophenyl)-6-methyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-oxo-3,4-dihydropyridine-5-carboxylate?
The IUPAC name of ethyl 4-(4-fluorophenyl)-6-methyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-oxo-3,4-dihydropyridine-5-carboxylate (CID 42761312) is ethyl 4-(4-fluorophenyl)-6-methyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-oxo-3,4-dihydropyridine-5-carboxylate.
What is the SMILES notation for ethyl 4-(4-fluorophenyl)-6-methyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-oxo-3,4-dihydropyridine-5-carboxylate?
The canonical SMILES for ethyl 4-(4-fluorophenyl)-6-methyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-oxo-3,4-dihydropyridine-5-carboxylate is CCOC(=O)C1=C(C)N(CC(=O)N2CCOCC2)C(=O)CC1c1ccc(F)cc1.
What is the InChIKey of ethyl 4-(4-fluorophenyl)-6-methyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-oxo-3,4-dihydropyridine-5-carboxylate?
The InChIKey is BTXHOKXDZQHJLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O5/c1-3-29-21(27)20-14(2)24(13-19(26)23-8-10-28-11-9-23)18(25)12-17(20)15-4-6-16(22)7-5-15/h4-7,17H,3,8-13H2,1-2H3.
What are the key properties of ethyl 4-(4-fluorophenyl)-6-methyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-oxo-3,4-dihydropyridine-5-carboxylate?
ethyl 4-(4-fluorophenyl)-6-methyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-oxo-3,4-dihydropyridine-5-carboxylate has a molecular weight of 404.44 g/mol, XLogP of 1.84, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-fluorophenyl)-6-methyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-oxo-3,4-dihydropyridine-5-carboxylate is sourced from PubChem (CID 42761312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).