2-[4-(difluoromethyl)-4-methyl-5-oxo-1H-imidazol-2-yl]quinoline-3-carboxylic acid

C15H11F2N3O3 — CID 57317253

IUPAC2-[4-(difluoromethyl)-4-methyl-5-oxo-1H-imidazol-2-yl]quinoline-3-carboxylic acid
SMILESCC1(C(F)F)N=C(c2nc3ccccc3cc2C(=O)O)NC1=O
InChIInChI=1S/C15H11F2N3O3/c1-15(13(16)17)14(23)19-11(20-15)10-8(12(21)22)6-7-4-2-3-5-9(7)18-10/h2-6,13H,1H3,(H,21,22)(H,19,20,23)
InChIKeyDYWUPVHJSSDMME-UHFFFAOYSA-N
MW319.27 g/mol
LogP1.83
Rot. Bonds3

About 2-[4-(difluoromethyl)-4-methyl-5-oxo-1H-imidazol-2-yl]quinoline-3-carboxylic acid

2-[4-(difluoromethyl)-4-methyl-5-oxo-1H-imidazol-2-yl]quinoline-3-carboxylic acid (PubChem CID 57317253) has the molecular formula C15H11F2N3O3 and a molecular weight of 319.27 g/mol. Its IUPAC name is 2-[4-(difluoromethyl)-4-methyl-5-oxo-1H-imidazol-2-yl]quinoline-3-carboxylic acid.

Molecular Properties

Compound Name2-[4-(difluoromethyl)-4-methyl-5-oxo-1H-imidazol-2-yl]quinoline-3-carboxylic acid
PubChem CID57317253
Molecular FormulaC15H11F2N3O3
Molecular Weight319.27 g/mol
Exact Mass319.08
IUPAC Name2-[4-(difluoromethyl)-4-methyl-5-oxo-1H-imidazol-2-yl]quinoline-3-carboxylic acid
SMILESCC1(C(F)F)N=C(c2nc3ccccc3cc2C(=O)O)NC1=O
InChIInChI=1S/C15H11F2N3O3/c1-15(13(16)17)14(23)19-11(20-15)10-8(12(21)22)6-7-4-2-3-5-9(7)18-10/h2-6,13H,1H3,(H,21,22)(H,19,20,23)
InChIKeyDYWUPVHJSSDMME-UHFFFAOYSA-N
XLogP1.83
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.27
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethyl)-4-methyl-5-oxo-1H-imidazol-2-yl]quinoline-3-carboxylic acid?
The IUPAC name of 2-[4-(difluoromethyl)-4-methyl-5-oxo-1H-imidazol-2-yl]quinoline-3-carboxylic acid (CID 57317253) is 2-[4-(difluoromethyl)-4-methyl-5-oxo-1H-imidazol-2-yl]quinoline-3-carboxylic acid.
What is the SMILES notation for 2-[4-(difluoromethyl)-4-methyl-5-oxo-1H-imidazol-2-yl]quinoline-3-carboxylic acid?
The canonical SMILES for 2-[4-(difluoromethyl)-4-methyl-5-oxo-1H-imidazol-2-yl]quinoline-3-carboxylic acid is CC1(C(F)F)N=C(c2nc3ccccc3cc2C(=O)O)NC1=O.
What is the InChIKey of 2-[4-(difluoromethyl)-4-methyl-5-oxo-1H-imidazol-2-yl]quinoline-3-carboxylic acid?
The InChIKey is DYWUPVHJSSDMME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2N3O3/c1-15(13(16)17)14(23)19-11(20-15)10-8(12(21)22)6-7-4-2-3-5-9(7)18-10/h2-6,13H,1H3,(H,21,22)(H,19,20,23).
What are the key properties of 2-[4-(difluoromethyl)-4-methyl-5-oxo-1H-imidazol-2-yl]quinoline-3-carboxylic acid?
2-[4-(difluoromethyl)-4-methyl-5-oxo-1H-imidazol-2-yl]quinoline-3-carboxylic acid has a molecular weight of 319.27 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethyl)-4-methyl-5-oxo-1H-imidazol-2-yl]quinoline-3-carboxylic acid is sourced from PubChem (CID 57317253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).