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

C15H17FN2O2 — CID 25235263

IUPAC6-(2-(18F)fluoroethyl)-4-oxo-N-propyl-1H-quinoline-3-carboxamide
SMILESCCCNC(=O)c1c[nH]c2ccc(CC[18F])cc2c1=O
InChIInChI=1S/C15H17FN2O2/c1-2-7-17-15(20)12-9-18-13-4-3-10(5-6-16)8-11(13)14(12)19/h3-4,8-9H,2,5-7H2,1H3,(H,17,20)(H,18,19)/i16-1
InChIKeyVWNXVGATGFPWHO-GKTGUEEDSA-N
MW275.31 g/mol
LogP2.18
Rot. Bonds5

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

6-(2-(18F)fluoroethyl)-4-oxo-N-propyl-1H-quinoline-3-carboxamide (PubChem CID 25235263) has the molecular formula C15H17FN2O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is 6-(2-(18F)fluoroethyl)-4-oxo-N-propyl-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name6-(2-(18F)fluoroethyl)-4-oxo-N-propyl-1H-quinoline-3-carboxamide
PubChem CID25235263
Molecular FormulaC15H17FN2O2
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name6-(2-(18F)fluoroethyl)-4-oxo-N-propyl-1H-quinoline-3-carboxamide
SMILESCCCNC(=O)c1c[nH]c2ccc(CC[18F])cc2c1=O
InChIInChI=1S/C15H17FN2O2/c1-2-7-17-15(20)12-9-18-13-4-3-10(5-6-16)8-11(13)14(12)19/h3-4,8-9H,2,5-7H2,1H3,(H,17,20)(H,18,19)/i16-1
InChIKeyVWNXVGATGFPWHO-GKTGUEEDSA-N
XLogP2.18
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-benzyl-N-(2-(18F)fluoroethyl)-4-oxo-1H-quinoline-3-carboxamide
CID 25210565
N-butyl-6-(methoxymethyl)-4-oxo-1H-quinoline-3-carboxamide
CID 18473157
N-[2-(diethylamino)ethyl]-6-ethyl-4-oxo-1H-quinoline-3-carboxamide;ethane
CID 143617094
6-bromo-N-(3-(18F)fluoropropyl)-4-oxo-1H-quinoline-3-carboxamide
CID 25235213
6-[(4-fluorophenyl)-methylsulfamoyl]-4-oxo-N-propyl-1H-quinoline-3-carboxamide
CID 4654060
6-hexyl-4-oxo-1H-quinoline-3-carboxylic acid
CID 118577946
5-chloro-N-propyl-1H-indole-3-carboxamide
CID 113205770
methyl 3-[(6-fluoro-4-oxo-1H-quinoline-3-carbonyl)amino]propanoate
CID 71706440
N-(2-hydroxyethyl)-6-methoxy-4-oxo-1H-quinoline-3-carboxamide
CID 43813799
methyl 2-[[6-[(2-fluorophenyl)methyl]-4-oxo-1H-quinoline-3-carbonyl]amino]acetate
CID 118578514
3-(18F)fluoropropyl 6-ethyl-4-oxo-1H-quinoline-3-carboxylate
CID 25235216
diethyl-[2-[(6-methoxy-4-oxo-1H-quinoline-3-carbonyl)amino]ethyl]azanium
CID 7391278

Frequently Asked Questions

What is the IUPAC name of 6-(2-(18F)fluoroethyl)-4-oxo-N-propyl-1H-quinoline-3-carboxamide?
The IUPAC name of 6-(2-(18F)fluoroethyl)-4-oxo-N-propyl-1H-quinoline-3-carboxamide (CID 25235263) is 6-(2-(18F)fluoroethyl)-4-oxo-N-propyl-1H-quinoline-3-carboxamide.
What is the SMILES notation for 6-(2-(18F)fluoroethyl)-4-oxo-N-propyl-1H-quinoline-3-carboxamide?
The canonical SMILES for 6-(2-(18F)fluoroethyl)-4-oxo-N-propyl-1H-quinoline-3-carboxamide is CCCNC(=O)c1c[nH]c2ccc(CC[18F])cc2c1=O.
What is the InChIKey of 6-(2-(18F)fluoroethyl)-4-oxo-N-propyl-1H-quinoline-3-carboxamide?
The InChIKey is VWNXVGATGFPWHO-GKTGUEEDSA-N. The full InChI is InChI=1S/C15H17FN2O2/c1-2-7-17-15(20)12-9-18-13-4-3-10(5-6-16)8-11(13)14(12)19/h3-4,8-9H,2,5-7H2,1H3,(H,17,20)(H,18,19)/i16-1.
What are the key properties of 6-(2-(18F)fluoroethyl)-4-oxo-N-propyl-1H-quinoline-3-carboxamide?
6-(2-(18F)fluoroethyl)-4-oxo-N-propyl-1H-quinoline-3-carboxamide has a molecular weight of 275.31 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-(18F)fluoroethyl)-4-oxo-N-propyl-1H-quinoline-3-carboxamide is sourced from PubChem (CID 25235263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).