6-benzyl-N-(2-(18F)fluoroethyl)-4-oxo-1H-quinoline-3-carboxamide

C19H17FN2O2 — CID 25210565

IUPAC6-benzyl-N-(2-(18F)fluoroethyl)-4-oxo-1H-quinoline-3-carboxamide
SMILESO=C(NCC[18F])c1c[nH]c2ccc(Cc3ccccc3)cc2c1=O
InChIInChI=1S/C19H17FN2O2/c20-8-9-21-19(24)16-12-22-17-7-6-14(11-15(17)18(16)23)10-13-4-2-1-3-5-13/h1-7,11-12H,8-10H2,(H,21,24)(H,22,23)/i20-1
InChIKeyFQCVKMJBEWJMHR-LRFGSCOBSA-N
MW323.36 g/mol
LogP2.82
Rot. Bonds5

About 6-benzyl-N-(2-(18F)fluoroethyl)-4-oxo-1H-quinoline-3-carboxamide

6-benzyl-N-(2-(18F)fluoroethyl)-4-oxo-1H-quinoline-3-carboxamide (PubChem CID 25210565) has the molecular formula C19H17FN2O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is 6-benzyl-N-(2-(18F)fluoroethyl)-4-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name6-benzyl-N-(2-(18F)fluoroethyl)-4-oxo-1H-quinoline-3-carboxamide
PubChem CID25210565
Molecular FormulaC19H17FN2O2
Molecular Weight323.36 g/mol
Exact Mass323.13
IUPAC Name6-benzyl-N-(2-(18F)fluoroethyl)-4-oxo-1H-quinoline-3-carboxamide
SMILESO=C(NCC[18F])c1c[nH]c2ccc(Cc3ccccc3)cc2c1=O
InChIInChI=1S/C19H17FN2O2/c20-8-9-21-19(24)16-12-22-17-7-6-14(11-15(17)18(16)23)10-13-4-2-1-3-5-13/h1-7,11-12H,8-10H2,(H,21,24)(H,22,23)/i20-1
InChIKeyFQCVKMJBEWJMHR-LRFGSCOBSA-N
XLogP2.82
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-(2-(18F)fluoroethyl)-4-oxo-N-propyl-1H-quinoline-3-carboxamide
CID 25235263
methyl 2-[[6-[(2-fluorophenyl)methyl]-4-oxo-1H-quinoline-3-carbonyl]amino]acetate
CID 118578514
6-bromo-N-(3-(18F)fluoropropyl)-4-oxo-1H-quinoline-3-carboxamide
CID 25235213
6-benzyl-3-[(3S)-3-(18F)fluoropyrrolidine-1-carbonyl]-1H-quinolin-4-one
CID 25235219
N-[2-(diethylamino)ethyl]-6-ethyl-4-oxo-1H-quinoline-3-carboxamide;ethane
CID 143617094
N-benzyl-6-methoxy-4-oxo-1H-quinoline-3-carboxamide
CID 18473067
N-butyl-6-(methoxymethyl)-4-oxo-1H-quinoline-3-carboxamide
CID 18473157
9-oxo-N-(2-phenylethyl)-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinoline-8-carboxamide
CID 43813773
4-oxo-N-[[4-(phenylmethoxymethyl)phenyl]methyl]-1H-quinoline-3-carboxamide
CID 60553799
ethyl 6-[(2-fluorophenyl)methyl]-4-oxo-1H-quinoline-3-carboxylate
CID 118578466
methyl 3-[(6-fluoro-4-oxo-1H-quinoline-3-carbonyl)amino]propanoate
CID 71706440
N-[2-(4-benzylpiperazin-1-yl)ethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 39984765

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-N-(2-(18F)fluoroethyl)-4-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of 6-benzyl-N-(2-(18F)fluoroethyl)-4-oxo-1H-quinoline-3-carboxamide (CID 25210565) is 6-benzyl-N-(2-(18F)fluoroethyl)-4-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for 6-benzyl-N-(2-(18F)fluoroethyl)-4-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for 6-benzyl-N-(2-(18F)fluoroethyl)-4-oxo-1H-quinoline-3-carboxamide is O=C(NCC[18F])c1c[nH]c2ccc(Cc3ccccc3)cc2c1=O.
What is the InChIKey of 6-benzyl-N-(2-(18F)fluoroethyl)-4-oxo-1H-quinoline-3-carboxamide?
The InChIKey is FQCVKMJBEWJMHR-LRFGSCOBSA-N. The full InChI is InChI=1S/C19H17FN2O2/c20-8-9-21-19(24)16-12-22-17-7-6-14(11-15(17)18(16)23)10-13-4-2-1-3-5-13/h1-7,11-12H,8-10H2,(H,21,24)(H,22,23)/i20-1.
What are the key properties of 6-benzyl-N-(2-(18F)fluoroethyl)-4-oxo-1H-quinoline-3-carboxamide?
6-benzyl-N-(2-(18F)fluoroethyl)-4-oxo-1H-quinoline-3-carboxamide has a molecular weight of 323.36 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-N-(2-(18F)fluoroethyl)-4-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 25210565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).