3-(18F)fluoropropyl 6-ethyl-4-oxo-1H-quinoline-3-carboxylate

C15H16FNO3 — CID 25235216

IUPAC3-(18F)fluoropropyl 6-ethyl-4-oxo-1H-quinoline-3-carboxylate
SMILESCCc1ccc2[nH]cc(C(=O)OCCC[18F])c(=O)c2c1
InChIInChI=1S/C15H16FNO3/c1-2-10-4-5-13-11(8-10)14(18)12(9-17-13)15(19)20-7-3-6-16/h4-5,8-9H,2-3,6-7H2,1H3,(H,17,18)/i16-1
InChIKeyPSRVUCHUXREXRV-GKTGUEEDSA-N
MW276.30 g/mol
LogP2.61
Rot. Bonds5

About 3-(18F)fluoropropyl 6-ethyl-4-oxo-1H-quinoline-3-carboxylate

3-(18F)fluoropropyl 6-ethyl-4-oxo-1H-quinoline-3-carboxylate (PubChem CID 25235216) has the molecular formula C15H16FNO3 and a molecular weight of 276.30 g/mol. Its IUPAC name is 3-(18F)fluoropropyl 6-ethyl-4-oxo-1H-quinoline-3-carboxylate.

Molecular Properties

Compound Name3-(18F)fluoropropyl 6-ethyl-4-oxo-1H-quinoline-3-carboxylate
PubChem CID25235216
Molecular FormulaC15H16FNO3
Molecular Weight276.30 g/mol
Exact Mass276.11
IUPAC Name3-(18F)fluoropropyl 6-ethyl-4-oxo-1H-quinoline-3-carboxylate
SMILESCCc1ccc2[nH]cc(C(=O)OCCC[18F])c(=O)c2c1
InChIInChI=1S/C15H16FNO3/c1-2-10-4-5-13-11(8-10)14(18)12(9-17-13)15(19)20-7-3-6-16/h4-5,8-9H,2-3,6-7H2,1H3,(H,17,18)/i16-1
InChIKeyPSRVUCHUXREXRV-GKTGUEEDSA-N
XLogP2.61
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

pentan-3-yl 6-ethyl-4-oxo-1H-quinoline-3-carboxylate
CID 11716193
6-ethyl-3-heptanoyl-1H-quinolin-4-one
CID 44561074
butyl 4-oxo-1H-quinoline-3-carboxylate
CID 11630136
ethyl 6-[(2-fluorophenyl)methyl]-4-oxo-1H-quinoline-3-carboxylate
CID 118578466
ethyl 6-[(2-chloro-4-fluorophenyl)methyl]-4-oxo-1H-quinoline-3-carboxylate
CID 171485774
ethyl 6-methylsulfonyl-4-oxo-1H-quinoline-3-carboxylate
CID 142164950
6-(2-(18F)fluoroethyl)-4-oxo-N-propyl-1H-quinoline-3-carboxamide
CID 25235263
1-(5-ethyl-1H-indol-3-yl)-2-(methylamino)ethanone
CID 82493050
6-hexyl-4-oxo-1H-quinoline-3-carboxylic acid
CID 118577946
N-[2-(diethylamino)ethyl]-6-ethyl-4-oxo-1H-quinoline-3-carboxamide;ethane
CID 143617094
ethyl 6-fluoro-7-methyl-4-oxo-1H-quinoline-3-carboxylate
CID 12733854
ethyl 6-(acetylsulfamoyl)-4-oxo-1H-quinoline-3-carboxylate
CID 134098178

Frequently Asked Questions

What is the IUPAC name of 3-(18F)fluoropropyl 6-ethyl-4-oxo-1H-quinoline-3-carboxylate?
The IUPAC name of 3-(18F)fluoropropyl 6-ethyl-4-oxo-1H-quinoline-3-carboxylate (CID 25235216) is 3-(18F)fluoropropyl 6-ethyl-4-oxo-1H-quinoline-3-carboxylate.
What is the SMILES notation for 3-(18F)fluoropropyl 6-ethyl-4-oxo-1H-quinoline-3-carboxylate?
The canonical SMILES for 3-(18F)fluoropropyl 6-ethyl-4-oxo-1H-quinoline-3-carboxylate is CCc1ccc2[nH]cc(C(=O)OCCC[18F])c(=O)c2c1.
What is the InChIKey of 3-(18F)fluoropropyl 6-ethyl-4-oxo-1H-quinoline-3-carboxylate?
The InChIKey is PSRVUCHUXREXRV-GKTGUEEDSA-N. The full InChI is InChI=1S/C15H16FNO3/c1-2-10-4-5-13-11(8-10)14(18)12(9-17-13)15(19)20-7-3-6-16/h4-5,8-9H,2-3,6-7H2,1H3,(H,17,18)/i16-1.
What are the key properties of 3-(18F)fluoropropyl 6-ethyl-4-oxo-1H-quinoline-3-carboxylate?
3-(18F)fluoropropyl 6-ethyl-4-oxo-1H-quinoline-3-carboxylate has a molecular weight of 276.30 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(18F)fluoropropyl 6-ethyl-4-oxo-1H-quinoline-3-carboxylate is sourced from PubChem (CID 25235216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).