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

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

2-(pyrazin-2-ylmethyl)-3H-imidazo[4,5-c]quinoline
CID 126666794
3-[(8-fluoro-3H-imidazo[4,5-c]quinolin-2-yl)methyl]-5-methyl-1,2-oxazole
CID 126712345
2-[(5-methyl-1,2-oxazol-3-yl)methyl]-3H-imidazo[4,5-c]quinoline-8-carbonitrile
CID 126666679
2-[(3-phenoxyphenyl)methyl]-3H-imidazo[4,5-c]quinoline
CID 163399793
2-[3-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]quinoline
CID 14207820
3H-imidazo[4,5-c]quinolin-2-ylmethyl acetate
CID 69335263
8-chloro-2-(imidazo[1,2-a]pyridin-2-ylmethyl)-3H-imidazo[4,5-c]quinoline
CID 126712422
S-[(Z)-2-amino-3-[8-(trifluoromethyl)-3H-imidazo[4,5-c]quinolin-2-yl]prop-1-enyl]thiohydroxylamine
CID 142423879
methyl 5-(3H-imidazo[4,5-c]quinolin-2-yl)pentanoate
CID 67836238
2-[(8-chloro-3H-imidazo[4,5-c]quinolin-2-yl)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 126712424
8-chloro-2-[(1-methylpyrazol-3-yl)methyl]-3H-imidazo[4,5-c]quinoline
CID 126712421
2-(1-piperidin-4-yloxyethyl)-3H-imidazo[4,5-c]quinoline
CID 123943298

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).