6-fluoro-N-(2-imidazol-1-ylethyl)-2-oxo-1H-quinoline-4-carboxamide

C15H13FN4O2 — CID 86286424

IUPAC6-fluoro-N-(2-imidazol-1-ylethyl)-2-oxo-1H-quinoline-4-carboxamide
SMILESO=C(NCCn1ccnc1)c1cc(=O)[nH]c2ccc(F)cc12
InChIInChI=1S/C15H13FN4O2/c16-10-1-2-13-11(7-10)12(8-14(21)19-13)15(22)18-4-6-20-5-3-17-9-20/h1-3,5,7-9H,4,6H2,(H,18,22)(H,19,21)
InChIKeyVKWAKQCHGDWCLR-UHFFFAOYSA-N
MW300.29 g/mol
LogP1.29
Rot. Bonds4

About 6-fluoro-N-(2-imidazol-1-ylethyl)-2-oxo-1H-quinoline-4-carboxamide

6-fluoro-N-(2-imidazol-1-ylethyl)-2-oxo-1H-quinoline-4-carboxamide (PubChem CID 86286424) has the molecular formula C15H13FN4O2 and a molecular weight of 300.29 g/mol. Its IUPAC name is 6-fluoro-N-(2-imidazol-1-ylethyl)-2-oxo-1H-quinoline-4-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-(2-imidazol-1-ylethyl)-2-oxo-1H-quinoline-4-carboxamide
PubChem CID86286424
Molecular FormulaC15H13FN4O2
Molecular Weight300.29 g/mol
Exact Mass300.10
IUPAC Name6-fluoro-N-(2-imidazol-1-ylethyl)-2-oxo-1H-quinoline-4-carboxamide
SMILESO=C(NCCn1ccnc1)c1cc(=O)[nH]c2ccc(F)cc12
InChIInChI=1S/C15H13FN4O2/c16-10-1-2-13-11(7-10)12(8-14(21)19-13)15(22)18-4-6-20-5-3-17-9-20/h1-3,5,7-9H,4,6H2,(H,18,22)(H,19,21)
InChIKeyVKWAKQCHGDWCLR-UHFFFAOYSA-N
XLogP1.29
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.29
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(2-imidazol-1-ylethyl)-2-oxo-1H-quinoline-4-carboxamide?
The IUPAC name of 6-fluoro-N-(2-imidazol-1-ylethyl)-2-oxo-1H-quinoline-4-carboxamide (CID 86286424) is 6-fluoro-N-(2-imidazol-1-ylethyl)-2-oxo-1H-quinoline-4-carboxamide.
What is the SMILES notation for 6-fluoro-N-(2-imidazol-1-ylethyl)-2-oxo-1H-quinoline-4-carboxamide?
The canonical SMILES for 6-fluoro-N-(2-imidazol-1-ylethyl)-2-oxo-1H-quinoline-4-carboxamide is O=C(NCCn1ccnc1)c1cc(=O)[nH]c2ccc(F)cc12.
What is the InChIKey of 6-fluoro-N-(2-imidazol-1-ylethyl)-2-oxo-1H-quinoline-4-carboxamide?
The InChIKey is VKWAKQCHGDWCLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4O2/c16-10-1-2-13-11(7-10)12(8-14(21)19-13)15(22)18-4-6-20-5-3-17-9-20/h1-3,5,7-9H,4,6H2,(H,18,22)(H,19,21).
What are the key properties of 6-fluoro-N-(2-imidazol-1-ylethyl)-2-oxo-1H-quinoline-4-carboxamide?
6-fluoro-N-(2-imidazol-1-ylethyl)-2-oxo-1H-quinoline-4-carboxamide has a molecular weight of 300.29 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(2-imidazol-1-ylethyl)-2-oxo-1H-quinoline-4-carboxamide is sourced from PubChem (CID 86286424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).