1-(2,2-dimethyloxan-4-yl)-2-(3-fluorocyclopentyl)imidazo[4,5-c]quinoline-8-carbonitrile

C23H25FN4O — CID 142423669

IUPAC1-(2,2-dimethyloxan-4-yl)-2-(3-fluorocyclopentyl)imidazo[4,5-c]quinoline-8-carbonitrile
SMILESCC1(C)CC(n2c(C3CCC(F)C3)nc3cnc4ccc(C#N)cc4c32)CCO1
InChIInChI=1S/C23H25FN4O/c1-23(2)11-17(7-8-29-23)28-21-18-9-14(12-25)3-6-19(18)26-13-20(21)27-22(28)15-4-5-16(24)10-15/h3,6,9,13,15-17H,4-5,7-8,10-11H2,1-2H3
InChIKeyYZPHYZVOZXGFQJ-UHFFFAOYSA-N
MW392.48 g/mol
LogP5.19
Rot. Bonds2

About 1-(2,2-dimethyloxan-4-yl)-2-(3-fluorocyclopentyl)imidazo[4,5-c]quinoline-8-carbonitrile

1-(2,2-dimethyloxan-4-yl)-2-(3-fluorocyclopentyl)imidazo[4,5-c]quinoline-8-carbonitrile (PubChem CID 142423669) has the molecular formula C23H25FN4O and a molecular weight of 392.48 g/mol. Its IUPAC name is 1-(2,2-dimethyloxan-4-yl)-2-(3-fluorocyclopentyl)imidazo[4,5-c]quinoline-8-carbonitrile.

Molecular Properties

Compound Name1-(2,2-dimethyloxan-4-yl)-2-(3-fluorocyclopentyl)imidazo[4,5-c]quinoline-8-carbonitrile
PubChem CID142423669
Molecular FormulaC23H25FN4O
Molecular Weight392.48 g/mol
Exact Mass392.20
IUPAC Name1-(2,2-dimethyloxan-4-yl)-2-(3-fluorocyclopentyl)imidazo[4,5-c]quinoline-8-carbonitrile
SMILESCC1(C)CC(n2c(C3CCC(F)C3)nc3cnc4ccc(C#N)cc4c32)CCO1
InChIInChI=1S/C23H25FN4O/c1-23(2)11-17(7-8-29-23)28-21-18-9-14(12-25)3-6-19(18)26-13-20(21)27-22(28)15-4-5-16(24)10-15/h3,6,9,13,15-17H,4-5,7-8,10-11H2,1-2H3
InChIKeyYZPHYZVOZXGFQJ-UHFFFAOYSA-N
XLogP5.19
TPSA63.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.48
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-fluoro-3-methylcyclobutyl)-1-[(2R)-2-methyloxan-4-yl]imidazo[4,5-c]quinoline-8-carbonitrile
CID 162679702
2-(3-fluorocyclobutyl)-1-[(3R)-1-methylpyrrolidin-3-yl]imidazo[4,5-c]quinoline-8-carbonitrile
CID 142423684
1-[(2R)-2-methyloxan-4-yl]-2-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]imidazo[4,5-c]quinoline-8-carbonitrile
CID 170389076
2-(4-cyclopropyltriazol-1-yl)-1-(2,2-dimethyloxan-4-yl)-8-fluoroimidazo[4,5-c]quinoline
CID 175899508
2-hydrazinyl-1-[(2R)-2-methyloxan-4-yl]imidazo[4,5-c]quinoline-8-carbonitrile
CID 176652177
3-amino-4-[(2,2-dimethyloxan-4-yl)amino]quinoline-6-carbonitrile
CID 142423727
2-[[(3-amino-2-methoxyprop-2-enylidene)amino]methyl]-1-(oxan-4-yl)imidazo[4,5-c]quinoline-8-carbonitrile
CID 142423967
1-[(2R)-2-methyloxan-4-yl]-2-(pyridin-2-ylmethyl)imidazo[4,5-c]quinoline-8-carbonitrile
CID 166795352
[(2S,4R)-4-[8-chloro-2-(3,3-difluorocyclobutyl)imidazo[4,5-c]quinolin-1-yl]oxan-2-yl]methanol
CID 146339314
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
1-[(2R,4R)-2-methyloxan-4-yl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)imidazo[4,5-c]quinoline-8-carbonitrile
CID 170583011

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethyloxan-4-yl)-2-(3-fluorocyclopentyl)imidazo[4,5-c]quinoline-8-carbonitrile?
The IUPAC name of 1-(2,2-dimethyloxan-4-yl)-2-(3-fluorocyclopentyl)imidazo[4,5-c]quinoline-8-carbonitrile (CID 142423669) is 1-(2,2-dimethyloxan-4-yl)-2-(3-fluorocyclopentyl)imidazo[4,5-c]quinoline-8-carbonitrile.
What is the SMILES notation for 1-(2,2-dimethyloxan-4-yl)-2-(3-fluorocyclopentyl)imidazo[4,5-c]quinoline-8-carbonitrile?
The canonical SMILES for 1-(2,2-dimethyloxan-4-yl)-2-(3-fluorocyclopentyl)imidazo[4,5-c]quinoline-8-carbonitrile is CC1(C)CC(n2c(C3CCC(F)C3)nc3cnc4ccc(C#N)cc4c32)CCO1.
What is the InChIKey of 1-(2,2-dimethyloxan-4-yl)-2-(3-fluorocyclopentyl)imidazo[4,5-c]quinoline-8-carbonitrile?
The InChIKey is YZPHYZVOZXGFQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O/c1-23(2)11-17(7-8-29-23)28-21-18-9-14(12-25)3-6-19(18)26-13-20(21)27-22(28)15-4-5-16(24)10-15/h3,6,9,13,15-17H,4-5,7-8,10-11H2,1-2H3.
What are the key properties of 1-(2,2-dimethyloxan-4-yl)-2-(3-fluorocyclopentyl)imidazo[4,5-c]quinoline-8-carbonitrile?
1-(2,2-dimethyloxan-4-yl)-2-(3-fluorocyclopentyl)imidazo[4,5-c]quinoline-8-carbonitrile has a molecular weight of 392.48 g/mol, XLogP of 5.19, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethyloxan-4-yl)-2-(3-fluorocyclopentyl)imidazo[4,5-c]quinoline-8-carbonitrile is sourced from PubChem (CID 142423669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).