8-fluoro-N-hexylquinoline-2-carboxamide

C16H19FN2O — CID 110485324

IUPAC8-fluoro-N-hexylquinoline-2-carboxamide
SMILESCCCCCCNC(=O)c1ccc2cccc(F)c2n1
InChIInChI=1S/C16H19FN2O/c1-2-3-4-5-11-18-16(20)14-10-9-12-7-6-8-13(17)15(12)19-14/h6-10H,2-5,11H2,1H3,(H,18,20)
InChIKeyYCNWMOMMBZNLFD-UHFFFAOYSA-N
MW274.34 g/mol
LogP3.68
Rot. Bonds6

About 8-fluoro-N-hexylquinoline-2-carboxamide

8-fluoro-N-hexylquinoline-2-carboxamide (PubChem CID 110485324) has the molecular formula C16H19FN2O and a molecular weight of 274.34 g/mol. Its IUPAC name is 8-fluoro-N-hexylquinoline-2-carboxamide.

Molecular Properties

Compound Name8-fluoro-N-hexylquinoline-2-carboxamide
PubChem CID110485324
Molecular FormulaC16H19FN2O
Molecular Weight274.34 g/mol
Exact Mass274.15
IUPAC Name8-fluoro-N-hexylquinoline-2-carboxamide
SMILESCCCCCCNC(=O)c1ccc2cccc(F)c2n1
InChIInChI=1S/C16H19FN2O/c1-2-3-4-5-11-18-16(20)14-10-9-12-7-6-8-13(17)15(12)19-14/h6-10H,2-5,11H2,1H3,(H,18,20)
InChIKeyYCNWMOMMBZNLFD-UHFFFAOYSA-N
XLogP3.68
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

8-hydroxy-N-octadecylquinoline-2-carboxamide
CID 101042875
4-[(8-fluoroquinoline-2-carbonyl)amino]butanoic acid
CID 110464541
2-N,6-N-didecylpyridine-2,6-dicarboxamide
CID 4564479
6-fluoro-N-pentylpyridine-2-carboxamide
CID 115496637
N-(3-cyclopentyloxypropyl)-8-fluoroquinoline-2-carboxamide
CID 77096220
N-(2,2-dimethoxyethyl)-8-fluoroquinoline-2-carboxamide
CID 110464548
N-hexyl-7-[2-[[2-(hexylcarbamoyl)-8-hydroxyquinolin-7-yl]methyl]prop-2-enyl]-8-hydroxyquinoline-2-carboxamide
CID 23729749
6-fluoro-N-pentylquinoline-2-carboxamide
CID 110486389
2,3-difluoro-N-pentylbenzamide
CID 62649821
8-fluoro-N-(furan-2-ylmethyl)quinoline-2-carboxamide
CID 110464521
4-N,5-N,10-N,11-N,16-N,17-N-hexahexyl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1,3,5,7,9,11,13,15,17-nonaene-4,5,10,11,16,17-hexacarboxamide
CID 14294049
2-N-pentyl-6-N,6-N-dipropylpyridine-2,6-dicarboxamide
CID 109099433

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-N-hexylquinoline-2-carboxamide?
The IUPAC name of 8-fluoro-N-hexylquinoline-2-carboxamide (CID 110485324) is 8-fluoro-N-hexylquinoline-2-carboxamide.
What is the SMILES notation for 8-fluoro-N-hexylquinoline-2-carboxamide?
The canonical SMILES for 8-fluoro-N-hexylquinoline-2-carboxamide is CCCCCCNC(=O)c1ccc2cccc(F)c2n1.
What is the InChIKey of 8-fluoro-N-hexylquinoline-2-carboxamide?
The InChIKey is YCNWMOMMBZNLFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O/c1-2-3-4-5-11-18-16(20)14-10-9-12-7-6-8-13(17)15(12)19-14/h6-10H,2-5,11H2,1H3,(H,18,20).
What are the key properties of 8-fluoro-N-hexylquinoline-2-carboxamide?
8-fluoro-N-hexylquinoline-2-carboxamide has a molecular weight of 274.34 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-N-hexylquinoline-2-carboxamide is sourced from PubChem (CID 110485324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).