4-[[8-fluoro-1-[(1S,3R)-3-fluorocyclopentyl]imidazo[4,5-c]quinolin-2-yl]methyl]thiadiazole

C18H15F2N5S — CID 142423980

IUPAC4-[[8-fluoro-1-[(1S,3R)-3-fluorocyclopentyl]imidazo[4,5-c]quinolin-2-yl]methyl]thiadiazole
SMILESFc1ccc2ncc3nc(Cc4csnn4)n([C@H]4CC[C@@H](F)C4)c3c2c1
InChIInChI=1S/C18H15F2N5S/c19-10-1-3-13(5-10)25-17(7-12-9-26-24-23-12)22-16-8-21-15-4-2-11(20)6-14(15)18(16)25/h2,4,6,8-10,13H,1,3,5,7H2/t10-,13+/m1/s1
InChIKeyVZVDLLBFVNMWRP-MFKMUULPSA-N
MW371.42 g/mol
LogP4.23
Rot. Bonds3

About 4-[[8-fluoro-1-[(1S,3R)-3-fluorocyclopentyl]imidazo[4,5-c]quinolin-2-yl]methyl]thiadiazole

4-[[8-fluoro-1-[(1S,3R)-3-fluorocyclopentyl]imidazo[4,5-c]quinolin-2-yl]methyl]thiadiazole (PubChem CID 142423980) has the molecular formula C18H15F2N5S and a molecular weight of 371.42 g/mol. Its IUPAC name is 4-[[8-fluoro-1-[(1S,3R)-3-fluorocyclopentyl]imidazo[4,5-c]quinolin-2-yl]methyl]thiadiazole.

Molecular Properties

Compound Name4-[[8-fluoro-1-[(1S,3R)-3-fluorocyclopentyl]imidazo[4,5-c]quinolin-2-yl]methyl]thiadiazole
PubChem CID142423980
Molecular FormulaC18H15F2N5S
Molecular Weight371.42 g/mol
Exact Mass371.10
IUPAC Name4-[[8-fluoro-1-[(1S,3R)-3-fluorocyclopentyl]imidazo[4,5-c]quinolin-2-yl]methyl]thiadiazole
SMILESFc1ccc2ncc3nc(Cc4csnn4)n([C@H]4CC[C@@H](F)C4)c3c2c1
InChIInChI=1S/C18H15F2N5S/c19-10-1-3-13(5-10)25-17(7-12-9-26-24-23-12)22-16-8-21-15-4-2-11(20)6-14(15)18(16)25/h2,4,6,8-10,13H,1,3,5,7H2/t10-,13+/m1/s1
InChIKeyVZVDLLBFVNMWRP-MFKMUULPSA-N
XLogP4.23
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[[8-fluoro-1-[(1S,3R)-3-fluorocyclopentyl]imidazo[4,5-c]quinolin-2-yl]methyl]thiadiazole with MolForge

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Related Compounds

1-[(2R,4R)-2-methyloxan-4-yl]-2-(thiadiazol-4-ylmethyl)imidazo[4,5-c]quinoline-8-carbonitrile
CID 126691119
4-[[8-fluoro-1-[(2S,4S)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]methyl]-1,3-thiazole
CID 126666716
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
8-fluoro-1-[(2R,4R)-2-methyloxan-4-yl]-2-[(4-methylpyrazol-1-yl)methyl]imidazo[4,5-c]quinoline
CID 126682230
8-chloro-1-[(2R)-2-methyloxan-4-yl]-2-[(5-methyl-2-pyridinyl)methyl]imidazo[4,5-c]quinoline
CID 126712298
1-[(2S,6R)-2,6-dimethyloxan-4-yl]-2-(1,3-thiazol-4-ylmethyl)imidazo[4,5-c]quinoline-8-carbonitrile
CID 126666714
8-chloro-1-[(2R,4R)-2-methyloxan-4-yl]-2-[(5-methylpyrazin-2-yl)methyl]imidazo[4,5-c]quinoline
CID 126666578
1-[(2R)-2-methyloxan-4-yl]-2-(pyridin-2-ylmethyl)imidazo[4,5-c]quinoline-8-carbonitrile
CID 166795352
3-[[8-chloro-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinolin-2-yl]methyl]-1,2-oxazole
CID 126666729
2-methyl-5-[[1-(oxan-4-yl)-8-(trifluoromethyl)imidazo[4,5-c]quinolin-2-yl]methyl]-1,3,4-thiadiazole
CID 142423818
[(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
4-[(1-cyclopropyl-6-fluorobenzimidazol-2-yl)methyl]-1,3-thiazol-2-amine
CID 62376570

Frequently Asked Questions

What is the IUPAC name of 4-[[8-fluoro-1-[(1S,3R)-3-fluorocyclopentyl]imidazo[4,5-c]quinolin-2-yl]methyl]thiadiazole?
The IUPAC name of 4-[[8-fluoro-1-[(1S,3R)-3-fluorocyclopentyl]imidazo[4,5-c]quinolin-2-yl]methyl]thiadiazole (CID 142423980) is 4-[[8-fluoro-1-[(1S,3R)-3-fluorocyclopentyl]imidazo[4,5-c]quinolin-2-yl]methyl]thiadiazole.
What is the SMILES notation for 4-[[8-fluoro-1-[(1S,3R)-3-fluorocyclopentyl]imidazo[4,5-c]quinolin-2-yl]methyl]thiadiazole?
The canonical SMILES for 4-[[8-fluoro-1-[(1S,3R)-3-fluorocyclopentyl]imidazo[4,5-c]quinolin-2-yl]methyl]thiadiazole is Fc1ccc2ncc3nc(Cc4csnn4)n([C@H]4CC[C@@H](F)C4)c3c2c1.
What is the InChIKey of 4-[[8-fluoro-1-[(1S,3R)-3-fluorocyclopentyl]imidazo[4,5-c]quinolin-2-yl]methyl]thiadiazole?
The InChIKey is VZVDLLBFVNMWRP-MFKMUULPSA-N. The full InChI is InChI=1S/C18H15F2N5S/c19-10-1-3-13(5-10)25-17(7-12-9-26-24-23-12)22-16-8-21-15-4-2-11(20)6-14(15)18(16)25/h2,4,6,8-10,13H,1,3,5,7H2/t10-,13+/m1/s1.
What are the key properties of 4-[[8-fluoro-1-[(1S,3R)-3-fluorocyclopentyl]imidazo[4,5-c]quinolin-2-yl]methyl]thiadiazole?
4-[[8-fluoro-1-[(1S,3R)-3-fluorocyclopentyl]imidazo[4,5-c]quinolin-2-yl]methyl]thiadiazole has a molecular weight of 371.42 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[8-fluoro-1-[(1S,3R)-3-fluorocyclopentyl]imidazo[4,5-c]quinolin-2-yl]methyl]thiadiazole is sourced from PubChem (CID 142423980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).