3-(3H-imidazo[4,5-c]quinolin-2-ylmethyl)-5-(trifluoromethyl)-1,2-oxazole

C15H9F3N4O — CID 126666676

IUPAC3-(3H-imidazo[4,5-c]quinolin-2-ylmethyl)-5-(trifluoromethyl)-1,2-oxazole
SMILESFC(F)(F)c1cc(Cc2nc3c(cnc4ccccc43)[nH]2)no1
InChIInChI=1S/C15H9F3N4O/c16-15(17,18)12-5-8(22-23-12)6-13-20-11-7-19-10-4-2-1-3-9(10)14(11)21-13/h1-5,7H,6H2,(H,20,21)
InChIKeyHIMBFJWLBDXXBL-UHFFFAOYSA-N
MW318.26 g/mol
LogP3.71
Rot. Bonds2

About 3-(3H-imidazo[4,5-c]quinolin-2-ylmethyl)-5-(trifluoromethyl)-1,2-oxazole

3-(3H-imidazo[4,5-c]quinolin-2-ylmethyl)-5-(trifluoromethyl)-1,2-oxazole (PubChem CID 126666676) has the molecular formula C15H9F3N4O and a molecular weight of 318.26 g/mol. Its IUPAC name is 3-(3H-imidazo[4,5-c]quinolin-2-ylmethyl)-5-(trifluoromethyl)-1,2-oxazole.

Molecular Properties

Compound Name3-(3H-imidazo[4,5-c]quinolin-2-ylmethyl)-5-(trifluoromethyl)-1,2-oxazole
PubChem CID126666676
Molecular FormulaC15H9F3N4O
Molecular Weight318.26 g/mol
Exact Mass318.07
IUPAC Name3-(3H-imidazo[4,5-c]quinolin-2-ylmethyl)-5-(trifluoromethyl)-1,2-oxazole
SMILESFC(F)(F)c1cc(Cc2nc3c(cnc4ccccc43)[nH]2)no1
InChIInChI=1S/C15H9F3N4O/c16-15(17,18)12-5-8(22-23-12)6-13-20-11-7-19-10-4-2-1-3-9(10)14(11)21-13/h1-5,7H,6H2,(H,20,21)
InChIKeyHIMBFJWLBDXXBL-UHFFFAOYSA-N
XLogP3.71
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.26
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3H-imidazo[4,5-c]quinolin-2-ylmethyl)-5-(trifluoromethyl)-1,2-oxazole?
The IUPAC name of 3-(3H-imidazo[4,5-c]quinolin-2-ylmethyl)-5-(trifluoromethyl)-1,2-oxazole (CID 126666676) is 3-(3H-imidazo[4,5-c]quinolin-2-ylmethyl)-5-(trifluoromethyl)-1,2-oxazole.
What is the SMILES notation for 3-(3H-imidazo[4,5-c]quinolin-2-ylmethyl)-5-(trifluoromethyl)-1,2-oxazole?
The canonical SMILES for 3-(3H-imidazo[4,5-c]quinolin-2-ylmethyl)-5-(trifluoromethyl)-1,2-oxazole is FC(F)(F)c1cc(Cc2nc3c(cnc4ccccc43)[nH]2)no1.
What is the InChIKey of 3-(3H-imidazo[4,5-c]quinolin-2-ylmethyl)-5-(trifluoromethyl)-1,2-oxazole?
The InChIKey is HIMBFJWLBDXXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F3N4O/c16-15(17,18)12-5-8(22-23-12)6-13-20-11-7-19-10-4-2-1-3-9(10)14(11)21-13/h1-5,7H,6H2,(H,20,21).
What are the key properties of 3-(3H-imidazo[4,5-c]quinolin-2-ylmethyl)-5-(trifluoromethyl)-1,2-oxazole?
3-(3H-imidazo[4,5-c]quinolin-2-ylmethyl)-5-(trifluoromethyl)-1,2-oxazole has a molecular weight of 318.26 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3H-imidazo[4,5-c]quinolin-2-ylmethyl)-5-(trifluoromethyl)-1,2-oxazole is sourced from PubChem (CID 126666676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).