2-methyl-5-[[1-(oxan-4-yl)-8-(trifluoromethyl)imidazo[4,5-c]quinolin-2-yl]methyl]-1,3,4-thiadiazole

C20H18F3N5OS — CID 142423818

IUPAC2-methyl-5-[[1-(oxan-4-yl)-8-(trifluoromethyl)imidazo[4,5-c]quinolin-2-yl]methyl]-1,3,4-thiadiazole
SMILESCc1nnc(Cc2nc3cnc4ccc(C(F)(F)F)cc4c3n2C2CCOCC2)s1
InChIInChI=1S/C20H18F3N5OS/c1-11-26-27-18(30-11)9-17-25-16-10-24-15-3-2-12(20(21,22)23)8-14(15)19(16)28(17)13-4-6-29-7-5-13/h2-3,8,10,13H,4-7,9H2,1H3
InChIKeyOAHPVRFVDDROHA-UHFFFAOYSA-N
MW433.46 g/mol
LogP4.71
Rot. Bonds3

About 2-methyl-5-[[1-(oxan-4-yl)-8-(trifluoromethyl)imidazo[4,5-c]quinolin-2-yl]methyl]-1,3,4-thiadiazole

2-methyl-5-[[1-(oxan-4-yl)-8-(trifluoromethyl)imidazo[4,5-c]quinolin-2-yl]methyl]-1,3,4-thiadiazole (PubChem CID 142423818) has the molecular formula C20H18F3N5OS and a molecular weight of 433.46 g/mol. Its IUPAC name is 2-methyl-5-[[1-(oxan-4-yl)-8-(trifluoromethyl)imidazo[4,5-c]quinolin-2-yl]methyl]-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-methyl-5-[[1-(oxan-4-yl)-8-(trifluoromethyl)imidazo[4,5-c]quinolin-2-yl]methyl]-1,3,4-thiadiazole
PubChem CID142423818
Molecular FormulaC20H18F3N5OS
Molecular Weight433.46 g/mol
Exact Mass433.12
IUPAC Name2-methyl-5-[[1-(oxan-4-yl)-8-(trifluoromethyl)imidazo[4,5-c]quinolin-2-yl]methyl]-1,3,4-thiadiazole
SMILESCc1nnc(Cc2nc3cnc4ccc(C(F)(F)F)cc4c3n2C2CCOCC2)s1
InChIInChI=1S/C20H18F3N5OS/c1-11-26-27-18(30-11)9-17-25-16-10-24-15-3-2-12(20(21,22)23)8-14(15)19(16)28(17)13-4-6-29-7-5-13/h2-3,8,10,13H,4-7,9H2,1H3
InChIKeyOAHPVRFVDDROHA-UHFFFAOYSA-N
XLogP4.71
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.46
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

6-[[8-fluoro-1-(oxan-4-yl)imidazo[4,5-c]quinolin-2-yl]methyl]imidazo[2,1-b][1,3,4]thiadiazole
CID 126666625
4-[[8-fluoro-1-[(2S,4S)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]methyl]-1,3-thiazole
CID 126666716
8-chloro-1-[(2R)-2-methyloxan-4-yl]-2-[(5-methyl-2-pyridinyl)methyl]imidazo[4,5-c]quinoline
CID 126712298
8-chloro-1-[(2R,4R)-2-methyloxan-4-yl]-2-[(5-methylpyrazin-2-yl)methyl]imidazo[4,5-c]quinoline
CID 126666578
1-methyl-2-(pyrimidin-4-ylmethyl)-8-(trifluoromethyl)imidazo[4,5-c]quinoline
CID 145275553
1-[(2R,4R)-2-methyloxan-4-yl]-2-(thiadiazol-4-ylmethyl)imidazo[4,5-c]quinoline-8-carbonitrile
CID 126691119
1-cyclobutyl-2-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazo[4,5-c]quinoline-8-carbonitrile
CID 126691412
2-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]-1-[(2R)-2-methyloxan-4-yl]imidazo[4,5-c]quinoline-8-carbonitrile
CID 126691397
2-[(2-methylimidazo[2,1-b][1,3,4]thiadiazol-6-yl)methyl]-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinoline-8-carbonitrile
CID 126691396
3-[[8-chloro-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]methyl]-1,2-oxazole
CID 126666729
[(2S)-4-[8-chloro-2-[(5-methyl-1,2-oxazol-3-yl)methyl]imidazo[4,5-c]quinolin-1-yl]oxan-2-yl]methanol
CID 126712399
8-chloro-1-[(2R,4R)-2-methyloxan-4-yl]-2-[[5-(trideuteriomethyl)pyrazin-2-yl]methyl]imidazo[4,5-c]quinoline
CID 154031581

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[[1-(oxan-4-yl)-8-(trifluoromethyl)imidazo[4,5-c]quinolin-2-yl]methyl]-1,3,4-thiadiazole?
The IUPAC name of 2-methyl-5-[[1-(oxan-4-yl)-8-(trifluoromethyl)imidazo[4,5-c]quinolin-2-yl]methyl]-1,3,4-thiadiazole (CID 142423818) is 2-methyl-5-[[1-(oxan-4-yl)-8-(trifluoromethyl)imidazo[4,5-c]quinolin-2-yl]methyl]-1,3,4-thiadiazole.
What is the SMILES notation for 2-methyl-5-[[1-(oxan-4-yl)-8-(trifluoromethyl)imidazo[4,5-c]quinolin-2-yl]methyl]-1,3,4-thiadiazole?
The canonical SMILES for 2-methyl-5-[[1-(oxan-4-yl)-8-(trifluoromethyl)imidazo[4,5-c]quinolin-2-yl]methyl]-1,3,4-thiadiazole is Cc1nnc(Cc2nc3cnc4ccc(C(F)(F)F)cc4c3n2C2CCOCC2)s1.
What is the InChIKey of 2-methyl-5-[[1-(oxan-4-yl)-8-(trifluoromethyl)imidazo[4,5-c]quinolin-2-yl]methyl]-1,3,4-thiadiazole?
The InChIKey is OAHPVRFVDDROHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N5OS/c1-11-26-27-18(30-11)9-17-25-16-10-24-15-3-2-12(20(21,22)23)8-14(15)19(16)28(17)13-4-6-29-7-5-13/h2-3,8,10,13H,4-7,9H2,1H3.
What are the key properties of 2-methyl-5-[[1-(oxan-4-yl)-8-(trifluoromethyl)imidazo[4,5-c]quinolin-2-yl]methyl]-1,3,4-thiadiazole?
2-methyl-5-[[1-(oxan-4-yl)-8-(trifluoromethyl)imidazo[4,5-c]quinolin-2-yl]methyl]-1,3,4-thiadiazole has a molecular weight of 433.46 g/mol, XLogP of 4.71, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[[1-(oxan-4-yl)-8-(trifluoromethyl)imidazo[4,5-c]quinolin-2-yl]methyl]-1,3,4-thiadiazole is sourced from PubChem (CID 142423818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).