[1-(4-fluorophenyl)-1-oxopropan-2-yl] 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate

C21H19FN2O4 — CID 42901274

IUPAC[1-(4-fluorophenyl)-1-oxopropan-2-yl] 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
SMILESCCn1cc(C(=O)OC(C)C(=O)c2ccc(F)cc2)c(=O)c2ccc(C)nc21
InChIInChI=1S/C21H19FN2O4/c1-4-24-11-17(19(26)16-10-5-12(2)23-20(16)24)21(27)28-13(3)18(25)14-6-8-15(22)9-7-14/h5-11,13H,4H2,1-3H3
InChIKeyGOVSXWJYFAKFJP-UHFFFAOYSA-N
MW382.39 g/mol
LogP3.29
Rot. Bonds5

About [1-(4-fluorophenyl)-1-oxopropan-2-yl] 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate

[1-(4-fluorophenyl)-1-oxopropan-2-yl] 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate (PubChem CID 42901274) has the molecular formula C21H19FN2O4 and a molecular weight of 382.39 g/mol. Its IUPAC name is [1-(4-fluorophenyl)-1-oxopropan-2-yl] 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate.

Molecular Properties

Compound Name[1-(4-fluorophenyl)-1-oxopropan-2-yl] 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
PubChem CID42901274
Molecular FormulaC21H19FN2O4
Molecular Weight382.39 g/mol
Exact Mass382.13
IUPAC Name[1-(4-fluorophenyl)-1-oxopropan-2-yl] 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
SMILESCCn1cc(C(=O)OC(C)C(=O)c2ccc(F)cc2)c(=O)c2ccc(C)nc21
InChIInChI=1S/C21H19FN2O4/c1-4-24-11-17(19(26)16-10-5-12(2)23-20(16)24)21(27)28-13(3)18(25)14-6-8-15(22)9-7-14/h5-11,13H,4H2,1-3H3
InChIKeyGOVSXWJYFAKFJP-UHFFFAOYSA-N
XLogP3.29
TPSA78.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.39
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [1-(4-fluorophenyl)-1-oxopropan-2-yl] 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate with MolForge

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Related Compounds

(4-fluorophenyl)methyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 974021
1-ethyl-N-[1-(4-fluorophenyl)ethyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
CID 53087103
1-ethyl-7-methyl-4-oxo-N-propan-2-yl-1,8-naphthyridine-3-carboxamide
CID 53013742
2-oxopropyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 3302196
butanoyloxymethyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 23276372
2-(diethylamino)ethyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 45275731
imidazol-1-ylmethyl 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 102083348
1-ethyl-7-methyl-N-(3-methylbutyl)-4-oxo-1,8-naphthyridine-3-carboxamide
CID 4660897
1-ethyl-N-[(2R)-2-hydroxypropyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
CID 95074253
2-[3-(4-fluorobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 20929684
1-[(2-chloro-4-fluorophenyl)methyl]-3-(4-fluorobenzoyl)-7-methyl-1,8-naphthyridin-4-one
CID 50759461
(1-ethyl-7-methyl-4-oxo-1,8-naphthyridin-3-yl) hydrogen carbonate
CID 69164316

Frequently Asked Questions

What is the IUPAC name of [1-(4-fluorophenyl)-1-oxopropan-2-yl] 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate?
The IUPAC name of [1-(4-fluorophenyl)-1-oxopropan-2-yl] 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate (CID 42901274) is [1-(4-fluorophenyl)-1-oxopropan-2-yl] 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate.
What is the SMILES notation for [1-(4-fluorophenyl)-1-oxopropan-2-yl] 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate?
The canonical SMILES for [1-(4-fluorophenyl)-1-oxopropan-2-yl] 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate is CCn1cc(C(=O)OC(C)C(=O)c2ccc(F)cc2)c(=O)c2ccc(C)nc21.
What is the InChIKey of [1-(4-fluorophenyl)-1-oxopropan-2-yl] 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate?
The InChIKey is GOVSXWJYFAKFJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O4/c1-4-24-11-17(19(26)16-10-5-12(2)23-20(16)24)21(27)28-13(3)18(25)14-6-8-15(22)9-7-14/h5-11,13H,4H2,1-3H3.
What are the key properties of [1-(4-fluorophenyl)-1-oxopropan-2-yl] 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate?
[1-(4-fluorophenyl)-1-oxopropan-2-yl] 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate has a molecular weight of 382.39 g/mol, XLogP of 3.29, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluorophenyl)-1-oxopropan-2-yl] 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate is sourced from PubChem (CID 42901274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).