[1-(difluoromethyl)imidazol-2-yl]methyl 2-thiophen-2-ylquinoline-4-carboxylate

C19H13F2N3O2S — CID 17435896

IUPAC[1-(difluoromethyl)imidazol-2-yl]methyl 2-thiophen-2-ylquinoline-4-carboxylate
SMILESO=C(OCc1nccn1C(F)F)c1cc(-c2cccs2)nc2ccccc12
InChIInChI=1S/C19H13F2N3O2S/c20-19(21)24-8-7-22-17(24)11-26-18(25)13-10-15(16-6-3-9-27-16)23-14-5-2-1-4-12(13)14/h1-10,19H,11H2
InChIKeyUSLBYWJXAZFSAH-UHFFFAOYSA-N
MW385.40 g/mol
LogP4.91
Rot. Bonds5

About [1-(difluoromethyl)imidazol-2-yl]methyl 2-thiophen-2-ylquinoline-4-carboxylate

[1-(difluoromethyl)imidazol-2-yl]methyl 2-thiophen-2-ylquinoline-4-carboxylate (PubChem CID 17435896) has the molecular formula C19H13F2N3O2S and a molecular weight of 385.40 g/mol. Its IUPAC name is [1-(difluoromethyl)imidazol-2-yl]methyl 2-thiophen-2-ylquinoline-4-carboxylate.

Molecular Properties

Compound Name[1-(difluoromethyl)imidazol-2-yl]methyl 2-thiophen-2-ylquinoline-4-carboxylate
PubChem CID17435896
Molecular FormulaC19H13F2N3O2S
Molecular Weight385.40 g/mol
Exact Mass385.07
IUPAC Name[1-(difluoromethyl)imidazol-2-yl]methyl 2-thiophen-2-ylquinoline-4-carboxylate
SMILESO=C(OCc1nccn1C(F)F)c1cc(-c2cccs2)nc2ccccc12
InChIInChI=1S/C19H13F2N3O2S/c20-19(21)24-8-7-22-17(24)11-26-18(25)13-10-15(16-6-3-9-27-16)23-14-5-2-1-4-12(13)14/h1-10,19H,11H2
InChIKeyUSLBYWJXAZFSAH-UHFFFAOYSA-N
XLogP4.91
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.40
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-(difluoromethyl)imidazol-2-yl]methyl 2-thiophen-2-ylquinoline-4-carboxylate?
The IUPAC name of [1-(difluoromethyl)imidazol-2-yl]methyl 2-thiophen-2-ylquinoline-4-carboxylate (CID 17435896) is [1-(difluoromethyl)imidazol-2-yl]methyl 2-thiophen-2-ylquinoline-4-carboxylate.
What is the SMILES notation for [1-(difluoromethyl)imidazol-2-yl]methyl 2-thiophen-2-ylquinoline-4-carboxylate?
The canonical SMILES for [1-(difluoromethyl)imidazol-2-yl]methyl 2-thiophen-2-ylquinoline-4-carboxylate is O=C(OCc1nccn1C(F)F)c1cc(-c2cccs2)nc2ccccc12.
What is the InChIKey of [1-(difluoromethyl)imidazol-2-yl]methyl 2-thiophen-2-ylquinoline-4-carboxylate?
The InChIKey is USLBYWJXAZFSAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F2N3O2S/c20-19(21)24-8-7-22-17(24)11-26-18(25)13-10-15(16-6-3-9-27-16)23-14-5-2-1-4-12(13)14/h1-10,19H,11H2.
What are the key properties of [1-(difluoromethyl)imidazol-2-yl]methyl 2-thiophen-2-ylquinoline-4-carboxylate?
[1-(difluoromethyl)imidazol-2-yl]methyl 2-thiophen-2-ylquinoline-4-carboxylate has a molecular weight of 385.40 g/mol, XLogP of 4.91, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(difluoromethyl)imidazol-2-yl]methyl 2-thiophen-2-ylquinoline-4-carboxylate is sourced from PubChem (CID 17435896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).