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

C22H23FN4O — CID 142423714

IUPAC2-(3-fluorocyclopentyl)-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinoline-8-carbonitrile
SMILESC[C@@H]1C[C@H](n2c(C3CCC(F)C3)nc3cnc4ccc(C#N)cc4c32)CCO1
InChIInChI=1S/C22H23FN4O/c1-13-8-17(6-7-28-13)27-21-18-9-14(11-24)2-5-19(18)25-12-20(21)26-22(27)15-3-4-16(23)10-15/h2,5,9,12-13,15-17H,3-4,6-8,10H2,1H3/t13-,15?,16?,17-/m1/s1
InChIKeyVCGRRVBPZIYWRD-LHUBUQBQSA-N
MW378.45 g/mol
LogP4.80
Rot. Bonds2

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

2-(3-fluorocyclopentyl)-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinoline-8-carbonitrile (PubChem CID 142423714) has the molecular formula C22H23FN4O and a molecular weight of 378.45 g/mol. Its IUPAC name is 2-(3-fluorocyclopentyl)-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinoline-8-carbonitrile.

Molecular Properties

Compound Name2-(3-fluorocyclopentyl)-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinoline-8-carbonitrile
PubChem CID142423714
Molecular FormulaC22H23FN4O
Molecular Weight378.45 g/mol
Exact Mass378.19
IUPAC Name2-(3-fluorocyclopentyl)-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinoline-8-carbonitrile
SMILESC[C@@H]1C[C@H](n2c(C3CCC(F)C3)nc3cnc4ccc(C#N)cc4c32)CCO1
InChIInChI=1S/C22H23FN4O/c1-13-8-17(6-7-28-13)27-21-18-9-14(11-24)2-5-19(18)25-12-20(21)26-22(27)15-3-4-16(23)10-15/h2,5,9,12-13,15-17H,3-4,6-8,10H2,1H3/t13-,15?,16?,17-/m1/s1
InChIKeyVCGRRVBPZIYWRD-LHUBUQBQSA-N
XLogP4.80
TPSA63.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorocyclopentyl)-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinoline-8-carbonitrile?
The IUPAC name of 2-(3-fluorocyclopentyl)-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinoline-8-carbonitrile (CID 142423714) is 2-(3-fluorocyclopentyl)-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinoline-8-carbonitrile.
What is the SMILES notation for 2-(3-fluorocyclopentyl)-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinoline-8-carbonitrile?
The canonical SMILES for 2-(3-fluorocyclopentyl)-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinoline-8-carbonitrile is C[C@@H]1C[C@H](n2c(C3CCC(F)C3)nc3cnc4ccc(C#N)cc4c32)CCO1.
What is the InChIKey of 2-(3-fluorocyclopentyl)-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinoline-8-carbonitrile?
The InChIKey is VCGRRVBPZIYWRD-LHUBUQBQSA-N. The full InChI is InChI=1S/C22H23FN4O/c1-13-8-17(6-7-28-13)27-21-18-9-14(11-24)2-5-19(18)25-12-20(21)26-22(27)15-3-4-16(23)10-15/h2,5,9,12-13,15-17H,3-4,6-8,10H2,1H3/t13-,15?,16?,17-/m1/s1.
What are the key properties of 2-(3-fluorocyclopentyl)-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinoline-8-carbonitrile?
2-(3-fluorocyclopentyl)-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinoline-8-carbonitrile has a molecular weight of 378.45 g/mol, XLogP of 4.80, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorocyclopentyl)-1-[(2R,4R)-2-methyloxan-4-yl]imidazo[4,5-c]quinoline-8-carbonitrile is sourced from PubChem (CID 142423714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).