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

C20H20FN5 — CID 142423684

IUPAC2-(3-fluorocyclobutyl)-1-[(3R)-1-methylpyrrolidin-3-yl]imidazo[4,5-c]quinoline-8-carbonitrile
SMILESCN1CC[C@@H](n2c(C3CC(F)C3)nc3cnc4ccc(C#N)cc4c32)C1
InChIInChI=1S/C20H20FN5/c1-25-5-4-15(11-25)26-19-16-6-12(9-22)2-3-17(16)23-10-18(19)24-20(26)13-7-14(21)8-13/h2-3,6,10,13-15H,4-5,7-8,11H2,1H3/t13?,14?,15-/m1/s1
InChIKeyHZDWQQZGOQSVKN-YMAMQOFZSA-N
MW349.41 g/mol
LogP3.55
Rot. Bonds2

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

2-(3-fluorocyclobutyl)-1-[(3R)-1-methylpyrrolidin-3-yl]imidazo[4,5-c]quinoline-8-carbonitrile (PubChem CID 142423684) has the molecular formula C20H20FN5 and a molecular weight of 349.41 g/mol. Its IUPAC name is 2-(3-fluorocyclobutyl)-1-[(3R)-1-methylpyrrolidin-3-yl]imidazo[4,5-c]quinoline-8-carbonitrile.

Molecular Properties

Compound Name2-(3-fluorocyclobutyl)-1-[(3R)-1-methylpyrrolidin-3-yl]imidazo[4,5-c]quinoline-8-carbonitrile
PubChem CID142423684
Molecular FormulaC20H20FN5
Molecular Weight349.41 g/mol
Exact Mass349.17
IUPAC Name2-(3-fluorocyclobutyl)-1-[(3R)-1-methylpyrrolidin-3-yl]imidazo[4,5-c]quinoline-8-carbonitrile
SMILESCN1CC[C@@H](n2c(C3CC(F)C3)nc3cnc4ccc(C#N)cc4c32)C1
InChIInChI=1S/C20H20FN5/c1-25-5-4-15(11-25)26-19-16-6-12(9-22)2-3-17(16)23-10-18(19)24-20(26)13-7-14(21)8-13/h2-3,6,10,13-15H,4-5,7-8,11H2,1H3/t13?,14?,15-/m1/s1
InChIKeyHZDWQQZGOQSVKN-YMAMQOFZSA-N
XLogP3.55
TPSA57.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorocyclobutyl)-1-[(3R)-1-methylpyrrolidin-3-yl]imidazo[4,5-c]quinoline-8-carbonitrile?
The IUPAC name of 2-(3-fluorocyclobutyl)-1-[(3R)-1-methylpyrrolidin-3-yl]imidazo[4,5-c]quinoline-8-carbonitrile (CID 142423684) is 2-(3-fluorocyclobutyl)-1-[(3R)-1-methylpyrrolidin-3-yl]imidazo[4,5-c]quinoline-8-carbonitrile.
What is the SMILES notation for 2-(3-fluorocyclobutyl)-1-[(3R)-1-methylpyrrolidin-3-yl]imidazo[4,5-c]quinoline-8-carbonitrile?
The canonical SMILES for 2-(3-fluorocyclobutyl)-1-[(3R)-1-methylpyrrolidin-3-yl]imidazo[4,5-c]quinoline-8-carbonitrile is CN1CC[C@@H](n2c(C3CC(F)C3)nc3cnc4ccc(C#N)cc4c32)C1.
What is the InChIKey of 2-(3-fluorocyclobutyl)-1-[(3R)-1-methylpyrrolidin-3-yl]imidazo[4,5-c]quinoline-8-carbonitrile?
The InChIKey is HZDWQQZGOQSVKN-YMAMQOFZSA-N. The full InChI is InChI=1S/C20H20FN5/c1-25-5-4-15(11-25)26-19-16-6-12(9-22)2-3-17(16)23-10-18(19)24-20(26)13-7-14(21)8-13/h2-3,6,10,13-15H,4-5,7-8,11H2,1H3/t13?,14?,15-/m1/s1.
What are the key properties of 2-(3-fluorocyclobutyl)-1-[(3R)-1-methylpyrrolidin-3-yl]imidazo[4,5-c]quinoline-8-carbonitrile?
2-(3-fluorocyclobutyl)-1-[(3R)-1-methylpyrrolidin-3-yl]imidazo[4,5-c]quinoline-8-carbonitrile has a molecular weight of 349.41 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorocyclobutyl)-1-[(3R)-1-methylpyrrolidin-3-yl]imidazo[4,5-c]quinoline-8-carbonitrile is sourced from PubChem (CID 142423684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).