6-[[8-fluoro-1-(oxan-4-yl)imidazo[4,5-c]quinolin-2-yl]methyl]imidazo[2,1-b][1,3,4]thiadiazole

C20H17FN6OS — CID 126666625

IUPAC6-[[8-fluoro-1-(oxan-4-yl)imidazo[4,5-c]quinolin-2-yl]methyl]imidazo[2,1-b][1,3,4]thiadiazole
SMILESFc1ccc2ncc3nc(Cc4cn5ncsc5n4)n(C4CCOCC4)c3c2c1
InChIInChI=1S/C20H17FN6OS/c21-12-1-2-16-15(7-12)19-17(9-22-16)25-18(27(19)14-3-5-28-6-4-14)8-13-10-26-20(24-13)29-11-23-26/h1-2,7,9-11,14H,3-6,8H2
InChIKeyBHJPPSZKGBARRN-UHFFFAOYSA-N
MW408.46 g/mol
LogP3.77
Rot. Bonds3

About 6-[[8-fluoro-1-(oxan-4-yl)imidazo[4,5-c]quinolin-2-yl]methyl]imidazo[2,1-b][1,3,4]thiadiazole

6-[[8-fluoro-1-(oxan-4-yl)imidazo[4,5-c]quinolin-2-yl]methyl]imidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 126666625) has the molecular formula C20H17FN6OS and a molecular weight of 408.46 g/mol. Its IUPAC name is 6-[[8-fluoro-1-(oxan-4-yl)imidazo[4,5-c]quinolin-2-yl]methyl]imidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-[[8-fluoro-1-(oxan-4-yl)imidazo[4,5-c]quinolin-2-yl]methyl]imidazo[2,1-b][1,3,4]thiadiazole
PubChem CID126666625
Molecular FormulaC20H17FN6OS
Molecular Weight408.46 g/mol
Exact Mass408.12
IUPAC Name6-[[8-fluoro-1-(oxan-4-yl)imidazo[4,5-c]quinolin-2-yl]methyl]imidazo[2,1-b][1,3,4]thiadiazole
SMILESFc1ccc2ncc3nc(Cc4cn5ncsc5n4)n(C4CCOCC4)c3c2c1
InChIInChI=1S/C20H17FN6OS/c21-12-1-2-16-15(7-12)19-17(9-22-16)25-18(27(19)14-3-5-28-6-4-14)8-13-10-26-20(24-13)29-11-23-26/h1-2,7,9-11,14H,3-6,8H2
InChIKeyBHJPPSZKGBARRN-UHFFFAOYSA-N
XLogP3.77
TPSA70.13 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-[[8-fluoro-1-[(2S,4S)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]methyl]-1,3-thiazole
CID 126666716
8-fluoro-1-[(2R,4R)-2-methyloxan-4-yl]-2-[(4-methylpyrazol-1-yl)methyl]imidazo[4,5-c]quinoline
CID 126682230
4-[[8-fluoro-1-[(1S,3R)-3-fluorocyclopentyl]imidazo[4,5-c]quinolin-2-yl]methyl]thiadiazole
CID 142423980
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
6-[[8-isocyano-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]methyl]-2-methylimidazo[2,1-b][1,3,4]thiadiazole
CID 140778428
2-methyl-5-[[1-(oxan-4-yl)-8-(trifluoromethyl)imidazo[4,5-c]quinolin-2-yl]methyl]-1,3,4-thiadiazole
CID 142423818
2-(chloromethyl)-6-fluoro-1-(oxan-4-yl)benzimidazole
CID 62377904
6-[[8-chloro-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]methyl]-2-methylimidazo[2,1-b][1,3]thiazole;formic acid
CID 160877534
8-chloro-1-[(2R,4R)-2-methyloxan-4-yl]-2-[(5-methylpyrazin-2-yl)methyl]imidazo[4,5-c]quinoline
CID 126666578
8-chloro-1-[(2R)-2-methyloxan-4-yl]-2-[(5-methyl-2-pyridinyl)methyl]imidazo[4,5-c]quinoline
CID 126712298
2-[[1-(1-methylpyrazole-4-carbonyl)azetidin-3-yl]methyl]-1-(oxan-4-yl)imidazo[4,5-c]quinoline-8-carbonitrile
CID 170583193

Frequently Asked Questions

What is the IUPAC name of 6-[[8-fluoro-1-(oxan-4-yl)imidazo[4,5-c]quinolin-2-yl]methyl]imidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 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) is 6-[[8-fluoro-1-(oxan-4-yl)imidazo[4,5-c]quinolin-2-yl]methyl]imidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-[[8-fluoro-1-(oxan-4-yl)imidazo[4,5-c]quinolin-2-yl]methyl]imidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 6-[[8-fluoro-1-(oxan-4-yl)imidazo[4,5-c]quinolin-2-yl]methyl]imidazo[2,1-b][1,3,4]thiadiazole is Fc1ccc2ncc3nc(Cc4cn5ncsc5n4)n(C4CCOCC4)c3c2c1.
What is the InChIKey of 6-[[8-fluoro-1-(oxan-4-yl)imidazo[4,5-c]quinolin-2-yl]methyl]imidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is BHJPPSZKGBARRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN6OS/c21-12-1-2-16-15(7-12)19-17(9-22-16)25-18(27(19)14-3-5-28-6-4-14)8-13-10-26-20(24-13)29-11-23-26/h1-2,7,9-11,14H,3-6,8H2.
What are the key properties of 6-[[8-fluoro-1-(oxan-4-yl)imidazo[4,5-c]quinolin-2-yl]methyl]imidazo[2,1-b][1,3,4]thiadiazole?
6-[[8-fluoro-1-(oxan-4-yl)imidazo[4,5-c]quinolin-2-yl]methyl]imidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 408.46 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[8-fluoro-1-(oxan-4-yl)imidazo[4,5-c]quinolin-2-yl]methyl]imidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 126666625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).