1-[(1R,3S)-3-fluorocyclopentyl]-2-(thiadiazol-4-ylmethyl)imidazo[4,5-c]quinoline-8-carbonitrile

C19H15FN6S — CID 155558971

IUPAC1-[(1R,3S)-3-fluorocyclopentyl]-2-(thiadiazol-4-ylmethyl)imidazo[4,5-c]quinoline-8-carbonitrile
SMILESN#Cc1ccc2ncc3nc(Cc4csnn4)n([C@@H]4CC[C@H](F)C4)c3c2c1
InChIInChI=1S/C19H15FN6S/c20-12-2-3-14(6-12)26-18(7-13-10-27-25-24-13)23-17-9-22-16-4-1-11(8-21)5-15(16)19(17)26/h1,4-5,9-10,12,14H,2-3,6-7H2/t12-,14+/m0/s1
InChIKeyUCBMAMYMGOIMKN-GXTWGEPZSA-N
MW378.44 g/mol
LogP3.96
Rot. Bonds3

About 1-[(1R,3S)-3-fluorocyclopentyl]-2-(thiadiazol-4-ylmethyl)imidazo[4,5-c]quinoline-8-carbonitrile

1-[(1R,3S)-3-fluorocyclopentyl]-2-(thiadiazol-4-ylmethyl)imidazo[4,5-c]quinoline-8-carbonitrile (PubChem CID 155558971) has the molecular formula C19H15FN6S and a molecular weight of 378.44 g/mol. Its IUPAC name is 1-[(1R,3S)-3-fluorocyclopentyl]-2-(thiadiazol-4-ylmethyl)imidazo[4,5-c]quinoline-8-carbonitrile.

Molecular Properties

Compound Name1-[(1R,3S)-3-fluorocyclopentyl]-2-(thiadiazol-4-ylmethyl)imidazo[4,5-c]quinoline-8-carbonitrile
PubChem CID155558971
Molecular FormulaC19H15FN6S
Molecular Weight378.44 g/mol
Exact Mass378.11
IUPAC Name1-[(1R,3S)-3-fluorocyclopentyl]-2-(thiadiazol-4-ylmethyl)imidazo[4,5-c]quinoline-8-carbonitrile
SMILESN#Cc1ccc2ncc3nc(Cc4csnn4)n([C@@H]4CC[C@H](F)C4)c3c2c1
InChIInChI=1S/C19H15FN6S/c20-12-2-3-14(6-12)26-18(7-13-10-27-25-24-13)23-17-9-22-16-4-1-11(8-21)5-15(16)19(17)26/h1,4-5,9-10,12,14H,2-3,6-7H2/t12-,14+/m0/s1
InChIKeyUCBMAMYMGOIMKN-GXTWGEPZSA-N
XLogP3.96
TPSA80.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R,3S)-3-fluorocyclopentyl]-2-(thiadiazol-4-ylmethyl)imidazo[4,5-c]quinoline-8-carbonitrile?
The IUPAC name of 1-[(1R,3S)-3-fluorocyclopentyl]-2-(thiadiazol-4-ylmethyl)imidazo[4,5-c]quinoline-8-carbonitrile (CID 155558971) is 1-[(1R,3S)-3-fluorocyclopentyl]-2-(thiadiazol-4-ylmethyl)imidazo[4,5-c]quinoline-8-carbonitrile.
What is the SMILES notation for 1-[(1R,3S)-3-fluorocyclopentyl]-2-(thiadiazol-4-ylmethyl)imidazo[4,5-c]quinoline-8-carbonitrile?
The canonical SMILES for 1-[(1R,3S)-3-fluorocyclopentyl]-2-(thiadiazol-4-ylmethyl)imidazo[4,5-c]quinoline-8-carbonitrile is N#Cc1ccc2ncc3nc(Cc4csnn4)n([C@@H]4CC[C@H](F)C4)c3c2c1.
What is the InChIKey of 1-[(1R,3S)-3-fluorocyclopentyl]-2-(thiadiazol-4-ylmethyl)imidazo[4,5-c]quinoline-8-carbonitrile?
The InChIKey is UCBMAMYMGOIMKN-GXTWGEPZSA-N. The full InChI is InChI=1S/C19H15FN6S/c20-12-2-3-14(6-12)26-18(7-13-10-27-25-24-13)23-17-9-22-16-4-1-11(8-21)5-15(16)19(17)26/h1,4-5,9-10,12,14H,2-3,6-7H2/t12-,14+/m0/s1.
What are the key properties of 1-[(1R,3S)-3-fluorocyclopentyl]-2-(thiadiazol-4-ylmethyl)imidazo[4,5-c]quinoline-8-carbonitrile?
1-[(1R,3S)-3-fluorocyclopentyl]-2-(thiadiazol-4-ylmethyl)imidazo[4,5-c]quinoline-8-carbonitrile has a molecular weight of 378.44 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,3S)-3-fluorocyclopentyl]-2-(thiadiazol-4-ylmethyl)imidazo[4,5-c]quinoline-8-carbonitrile is sourced from PubChem (CID 155558971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).