8-fluoro-1-methyl-4-oxo-N-(2-phenylethyl)quinoline-3-carboxamide

C19H17FN2O2 — CID 43832085

IUPAC8-fluoro-1-methyl-4-oxo-N-(2-phenylethyl)quinoline-3-carboxamide
SMILESCn1cc(C(=O)NCCc2ccccc2)c(=O)c2cccc(F)c21
InChIInChI=1S/C19H17FN2O2/c1-22-12-15(18(23)14-8-5-9-16(20)17(14)22)19(24)21-11-10-13-6-3-2-4-7-13/h2-9,12H,10-11H2,1H3,(H,21,24)
InChIKeyZIKDJKRZVXTFPM-UHFFFAOYSA-N
MW324.35 g/mol
LogP2.65
Rot. Bonds4

About 8-fluoro-1-methyl-4-oxo-N-(2-phenylethyl)quinoline-3-carboxamide

8-fluoro-1-methyl-4-oxo-N-(2-phenylethyl)quinoline-3-carboxamide (PubChem CID 43832085) has the molecular formula C19H17FN2O2 and a molecular weight of 324.35 g/mol. Its IUPAC name is 8-fluoro-1-methyl-4-oxo-N-(2-phenylethyl)quinoline-3-carboxamide.

Molecular Properties

Compound Name8-fluoro-1-methyl-4-oxo-N-(2-phenylethyl)quinoline-3-carboxamide
PubChem CID43832085
Molecular FormulaC19H17FN2O2
Molecular Weight324.35 g/mol
Exact Mass324.13
IUPAC Name8-fluoro-1-methyl-4-oxo-N-(2-phenylethyl)quinoline-3-carboxamide
SMILESCn1cc(C(=O)NCCc2ccccc2)c(=O)c2cccc(F)c21
InChIInChI=1S/C19H17FN2O2/c1-22-12-15(18(23)14-8-5-9-16(20)17(14)22)19(24)21-11-10-13-6-3-2-4-7-13/h2-9,12H,10-11H2,1H3,(H,21,24)
InChIKeyZIKDJKRZVXTFPM-UHFFFAOYSA-N
XLogP2.65
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.35
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-fluoro-1-methyl-4-oxo-N-(2-thiophen-2-ylethyl)quinoline-3-carboxamide
CID 43831713
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-8-fluoro-1-methyl-4-oxoquinoline-3-carboxamide
CID 43832096
3-benzyl-5-methyl-2,4-dioxo-N-(2-phenylethyl)-1H-pyrrolo[3,2-d]pyrimidine-7-carboxamide
CID 41231269
N-(3-chloro-2-methylphenyl)-8-fluoro-1-methyl-4-oxoquinoline-3-carboxamide
CID 43832131
N-[2-(2-fluorophenyl)ethyl]-1-methylindole-3-carboxamide
CID 40718604
2-(ethylamino)-3-fluoro-N-(2-phenylethyl)benzamide
CID 62648927
8-fluoro-3-(hydroxymethyl)-1-methylquinolin-4-one
CID 12807888
2-(1-methylindol-3-yl)-2-oxo-N-(2-phenylethyl)acetamide
CID 4918878
2-amino-1-(7-fluoro-1-methylindol-3-yl)ethanone
CID 82659307
2-[(2-fluorophenyl)methyl]-N-(2-phenylethyl)benzamide
CID 174954311
2,3-dihydroxy-N-(2-phenylethyl)benzamide
CID 22895318
2,4,5,6-tetrafluoro-1-N,3-N-bis(2-phenylethyl)benzene-1,3-dicarboxamide
CID 1109048

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-1-methyl-4-oxo-N-(2-phenylethyl)quinoline-3-carboxamide?
The IUPAC name of 8-fluoro-1-methyl-4-oxo-N-(2-phenylethyl)quinoline-3-carboxamide (CID 43832085) is 8-fluoro-1-methyl-4-oxo-N-(2-phenylethyl)quinoline-3-carboxamide.
What is the SMILES notation for 8-fluoro-1-methyl-4-oxo-N-(2-phenylethyl)quinoline-3-carboxamide?
The canonical SMILES for 8-fluoro-1-methyl-4-oxo-N-(2-phenylethyl)quinoline-3-carboxamide is Cn1cc(C(=O)NCCc2ccccc2)c(=O)c2cccc(F)c21.
What is the InChIKey of 8-fluoro-1-methyl-4-oxo-N-(2-phenylethyl)quinoline-3-carboxamide?
The InChIKey is ZIKDJKRZVXTFPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O2/c1-22-12-15(18(23)14-8-5-9-16(20)17(14)22)19(24)21-11-10-13-6-3-2-4-7-13/h2-9,12H,10-11H2,1H3,(H,21,24).
What are the key properties of 8-fluoro-1-methyl-4-oxo-N-(2-phenylethyl)quinoline-3-carboxamide?
8-fluoro-1-methyl-4-oxo-N-(2-phenylethyl)quinoline-3-carboxamide has a molecular weight of 324.35 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-1-methyl-4-oxo-N-(2-phenylethyl)quinoline-3-carboxamide is sourced from PubChem (CID 43832085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).