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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-fluoro-N-(2-imidazol-1-ylethyl)pyridine-4-carboxamide
CID 115645510
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-6-fluoro-2-oxo-1H-quinoline-4-carboxamide
CID 77085775
4-fluoro-N-(3-imidazol-1-ylpropyl)benzamide chloride
CID 53351812
N-(2-imidazol-1-ylethyl)-1-oxo-2H-isoquinoline-4-carboxamide
CID 110205681
N-(2-imidazol-1-ylethyl)-2-(methylamino)benzamide
CID 61375960
1-(2,5-difluorophenyl)-3-(2-imidazol-1-ylethyl)urea
CID 47032101
N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-6-fluoro-2-oxo-1H-quinoline-4-carboxamide
CID 91795880
2-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)quinoline-4-carboxamide
CID 29432371
2-fluoro-N-(2-imidazol-1-ylethyl)-5-nitrobenzamide
CID 61325737
5-bromo-2-hydroxy-N-(2-imidazol-1-ylethyl)benzamide
CID 47099001
6-fluoro-2-oxo-N-[1-(3-pyrrolidin-1-ylpropyl)pyrazol-3-yl]-1H-quinoline-4-carboxamide
CID 167868377
2-cyclopropyl-N-(2-imidazol-1-ylethyl)-6-oxo-1H-pyrimidine-4-carboxamide
CID 167849047

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).