6-fluoro-N-octyl-4-oxo-1H-quinoline-3-carboxamide

C18H23FN2O2 — CID 10687033

IUPAC6-fluoro-N-octyl-4-oxo-1H-quinoline-3-carboxamide
SMILESCCCCCCCCNC(=O)c1c[nH]c2ccc(F)cc2c1=O
InChIInChI=1S/C18H23FN2O2/c1-2-3-4-5-6-7-10-20-18(23)15-12-21-16-9-8-13(19)11-14(16)17(15)22/h8-9,11-12H,2-7,10H2,1H3,(H,20,23)(H,21,22)
InChIKeyXKAMVQJILCNGMB-UHFFFAOYSA-N
MW318.39 g/mol
LogP3.76
Rot. Bonds8

About 6-fluoro-N-octyl-4-oxo-1H-quinoline-3-carboxamide

6-fluoro-N-octyl-4-oxo-1H-quinoline-3-carboxamide (PubChem CID 10687033) has the molecular formula C18H23FN2O2 and a molecular weight of 318.39 g/mol. Its IUPAC name is 6-fluoro-N-octyl-4-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-octyl-4-oxo-1H-quinoline-3-carboxamide
PubChem CID10687033
Molecular FormulaC18H23FN2O2
Molecular Weight318.39 g/mol
Exact Mass318.17
IUPAC Name6-fluoro-N-octyl-4-oxo-1H-quinoline-3-carboxamide
SMILESCCCCCCCCNC(=O)c1c[nH]c2ccc(F)cc2c1=O
InChIInChI=1S/C18H23FN2O2/c1-2-3-4-5-6-7-10-20-18(23)15-12-21-16-9-8-13(19)11-14(16)17(15)22/h8-9,11-12H,2-7,10H2,1H3,(H,20,23)(H,21,22)
InChIKeyXKAMVQJILCNGMB-UHFFFAOYSA-N
XLogP3.76
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.39
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-octyl-4-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of 6-fluoro-N-octyl-4-oxo-1H-quinoline-3-carboxamide (CID 10687033) is 6-fluoro-N-octyl-4-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for 6-fluoro-N-octyl-4-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for 6-fluoro-N-octyl-4-oxo-1H-quinoline-3-carboxamide is CCCCCCCCNC(=O)c1c[nH]c2ccc(F)cc2c1=O.
What is the InChIKey of 6-fluoro-N-octyl-4-oxo-1H-quinoline-3-carboxamide?
The InChIKey is XKAMVQJILCNGMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2O2/c1-2-3-4-5-6-7-10-20-18(23)15-12-21-16-9-8-13(19)11-14(16)17(15)22/h8-9,11-12H,2-7,10H2,1H3,(H,20,23)(H,21,22).
What are the key properties of 6-fluoro-N-octyl-4-oxo-1H-quinoline-3-carboxamide?
6-fluoro-N-octyl-4-oxo-1H-quinoline-3-carboxamide has a molecular weight of 318.39 g/mol, XLogP of 3.76, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-octyl-4-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 10687033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).