2-(4-cyclopropyltriazol-1-yl)-1-(2,2-dimethyloxan-4-yl)-8-fluoroimidazo[4,5-c]quinoline

C22H23FN6O — CID 175899508

IUPAC2-(4-cyclopropyltriazol-1-yl)-1-(2,2-dimethyloxan-4-yl)-8-fluoroimidazo[4,5-c]quinoline
SMILESCC1(C)CC(n2c(-n3cc(C4CC4)nn3)nc3cnc4ccc(F)cc4c32)CCO1
InChIInChI=1S/C22H23FN6O/c1-22(2)10-15(7-8-30-22)29-20-16-9-14(23)5-6-17(16)24-11-18(20)25-21(29)28-12-19(26-27-28)13-3-4-13/h5-6,9,11-13,15H,3-4,7-8,10H2,1-2H3
InChIKeyDJHUGKHXJLBXEY-UHFFFAOYSA-N
MW406.47 g/mol
LogP4.31
Rot. Bonds3

About 2-(4-cyclopropyltriazol-1-yl)-1-(2,2-dimethyloxan-4-yl)-8-fluoroimidazo[4,5-c]quinoline

2-(4-cyclopropyltriazol-1-yl)-1-(2,2-dimethyloxan-4-yl)-8-fluoroimidazo[4,5-c]quinoline (PubChem CID 175899508) has the molecular formula C22H23FN6O and a molecular weight of 406.47 g/mol. Its IUPAC name is 2-(4-cyclopropyltriazol-1-yl)-1-(2,2-dimethyloxan-4-yl)-8-fluoroimidazo[4,5-c]quinoline.

Molecular Properties

Compound Name2-(4-cyclopropyltriazol-1-yl)-1-(2,2-dimethyloxan-4-yl)-8-fluoroimidazo[4,5-c]quinoline
PubChem CID175899508
Molecular FormulaC22H23FN6O
Molecular Weight406.47 g/mol
Exact Mass406.19
IUPAC Name2-(4-cyclopropyltriazol-1-yl)-1-(2,2-dimethyloxan-4-yl)-8-fluoroimidazo[4,5-c]quinoline
SMILESCC1(C)CC(n2c(-n3cc(C4CC4)nn3)nc3cnc4ccc(F)cc4c32)CCO1
InChIInChI=1S/C22H23FN6O/c1-22(2)10-15(7-8-30-22)29-20-16-9-14(23)5-6-17(16)24-11-18(20)25-21(29)28-12-19(26-27-28)13-3-4-13/h5-6,9,11-13,15H,3-4,7-8,10H2,1-2H3
InChIKeyDJHUGKHXJLBXEY-UHFFFAOYSA-N
XLogP4.31
TPSA70.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.47
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropyltriazol-1-yl)-1-(2,2-dimethyloxan-4-yl)-8-fluoroimidazo[4,5-c]quinoline?
The IUPAC name of 2-(4-cyclopropyltriazol-1-yl)-1-(2,2-dimethyloxan-4-yl)-8-fluoroimidazo[4,5-c]quinoline (CID 175899508) is 2-(4-cyclopropyltriazol-1-yl)-1-(2,2-dimethyloxan-4-yl)-8-fluoroimidazo[4,5-c]quinoline.
What is the SMILES notation for 2-(4-cyclopropyltriazol-1-yl)-1-(2,2-dimethyloxan-4-yl)-8-fluoroimidazo[4,5-c]quinoline?
The canonical SMILES for 2-(4-cyclopropyltriazol-1-yl)-1-(2,2-dimethyloxan-4-yl)-8-fluoroimidazo[4,5-c]quinoline is CC1(C)CC(n2c(-n3cc(C4CC4)nn3)nc3cnc4ccc(F)cc4c32)CCO1.
What is the InChIKey of 2-(4-cyclopropyltriazol-1-yl)-1-(2,2-dimethyloxan-4-yl)-8-fluoroimidazo[4,5-c]quinoline?
The InChIKey is DJHUGKHXJLBXEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN6O/c1-22(2)10-15(7-8-30-22)29-20-16-9-14(23)5-6-17(16)24-11-18(20)25-21(29)28-12-19(26-27-28)13-3-4-13/h5-6,9,11-13,15H,3-4,7-8,10H2,1-2H3.
What are the key properties of 2-(4-cyclopropyltriazol-1-yl)-1-(2,2-dimethyloxan-4-yl)-8-fluoroimidazo[4,5-c]quinoline?
2-(4-cyclopropyltriazol-1-yl)-1-(2,2-dimethyloxan-4-yl)-8-fluoroimidazo[4,5-c]quinoline has a molecular weight of 406.47 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropyltriazol-1-yl)-1-(2,2-dimethyloxan-4-yl)-8-fluoroimidazo[4,5-c]quinoline is sourced from PubChem (CID 175899508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).