[1-(difluoromethyl)imidazol-2-yl]methyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate

C15H13F2N3O3 — CID 18125545

IUPAC[1-(difluoromethyl)imidazol-2-yl]methyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate
SMILESO=C1CCc2cc(C(=O)OCc3nccn3C(F)F)ccc2N1
InChIInChI=1S/C15H13F2N3O3/c16-15(17)20-6-5-18-12(20)8-23-14(22)10-1-3-11-9(7-10)2-4-13(21)19-11/h1,3,5-7,15H,2,4,8H2,(H,19,21)
InChIKeyGEWLUPXGVUKONR-UHFFFAOYSA-N
MW321.28 g/mol
LogP2.52
Rot. Bonds4

About [1-(difluoromethyl)imidazol-2-yl]methyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate

[1-(difluoromethyl)imidazol-2-yl]methyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate (PubChem CID 18125545) has the molecular formula C15H13F2N3O3 and a molecular weight of 321.28 g/mol. Its IUPAC name is [1-(difluoromethyl)imidazol-2-yl]methyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate.

Molecular Properties

Compound Name[1-(difluoromethyl)imidazol-2-yl]methyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate
PubChem CID18125545
Molecular FormulaC15H13F2N3O3
Molecular Weight321.28 g/mol
Exact Mass321.09
IUPAC Name[1-(difluoromethyl)imidazol-2-yl]methyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate
SMILESO=C1CCc2cc(C(=O)OCc3nccn3C(F)F)ccc2N1
InChIInChI=1S/C15H13F2N3O3/c16-15(17)20-6-5-18-12(20)8-23-14(22)10-1-3-11-9(7-10)2-4-13(21)19-11/h1,3,5-7,15H,2,4,8H2,(H,19,21)
InChIKeyGEWLUPXGVUKONR-UHFFFAOYSA-N
XLogP2.52
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.28
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [1-(difluoromethyl)imidazol-2-yl]methyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-(difluoromethyl)imidazol-2-yl]methyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate?
The IUPAC name of [1-(difluoromethyl)imidazol-2-yl]methyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate (CID 18125545) is [1-(difluoromethyl)imidazol-2-yl]methyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate.
What is the SMILES notation for [1-(difluoromethyl)imidazol-2-yl]methyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate?
The canonical SMILES for [1-(difluoromethyl)imidazol-2-yl]methyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate is O=C1CCc2cc(C(=O)OCc3nccn3C(F)F)ccc2N1.
What is the InChIKey of [1-(difluoromethyl)imidazol-2-yl]methyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate?
The InChIKey is GEWLUPXGVUKONR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2N3O3/c16-15(17)20-6-5-18-12(20)8-23-14(22)10-1-3-11-9(7-10)2-4-13(21)19-11/h1,3,5-7,15H,2,4,8H2,(H,19,21).
What are the key properties of [1-(difluoromethyl)imidazol-2-yl]methyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate?
[1-(difluoromethyl)imidazol-2-yl]methyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate has a molecular weight of 321.28 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(difluoromethyl)imidazol-2-yl]methyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate is sourced from PubChem (CID 18125545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).