3-[[3-[2-(2-hydroxyethyl)imidazo[4,5-c]quinolin-1-yl]cyclopentyl]amino]propanenitrile

C20H23N5O — CID 71212485

IUPAC3-[[3-[2-(2-hydroxyethyl)imidazo[4,5-c]quinolin-1-yl]cyclopentyl]amino]propanenitrile
SMILESN#CCCNC1CCC(n2c(CCO)nc3cnc4ccccc4c32)C1
InChIInChI=1S/C20H23N5O/c21-9-3-10-22-14-6-7-15(12-14)25-19(8-11-26)24-18-13-23-17-5-2-1-4-16(17)20(18)25/h1-2,4-5,13-15,22,26H,3,6-8,10-12H2
InChIKeyLCYXNZJGRVGIAI-UHFFFAOYSA-N
MW349.44 g/mol
LogP2.72
Rot. Bonds6

About 3-[[3-[2-(2-hydroxyethyl)imidazo[4,5-c]quinolin-1-yl]cyclopentyl]amino]propanenitrile

3-[[3-[2-(2-hydroxyethyl)imidazo[4,5-c]quinolin-1-yl]cyclopentyl]amino]propanenitrile (PubChem CID 71212485) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 3-[[3-[2-(2-hydroxyethyl)imidazo[4,5-c]quinolin-1-yl]cyclopentyl]amino]propanenitrile.

Molecular Properties

Compound Name3-[[3-[2-(2-hydroxyethyl)imidazo[4,5-c]quinolin-1-yl]cyclopentyl]amino]propanenitrile
PubChem CID71212485
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name3-[[3-[2-(2-hydroxyethyl)imidazo[4,5-c]quinolin-1-yl]cyclopentyl]amino]propanenitrile
SMILESN#CCCNC1CCC(n2c(CCO)nc3cnc4ccccc4c32)C1
InChIInChI=1S/C20H23N5O/c21-9-3-10-22-14-6-7-15(12-14)25-19(8-11-26)24-18-13-23-17-5-2-1-4-16(17)20(18)25/h1-2,4-5,13-15,22,26H,3,6-8,10-12H2
InChIKeyLCYXNZJGRVGIAI-UHFFFAOYSA-N
XLogP2.72
TPSA86.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[[3-[2-(2-hydroxyethyl)imidazo[4,5-c]quinolin-1-yl]cyclopentyl]amino]propanenitrile?
The IUPAC name of 3-[[3-[2-(2-hydroxyethyl)imidazo[4,5-c]quinolin-1-yl]cyclopentyl]amino]propanenitrile (CID 71212485) is 3-[[3-[2-(2-hydroxyethyl)imidazo[4,5-c]quinolin-1-yl]cyclopentyl]amino]propanenitrile.
What is the SMILES notation for 3-[[3-[2-(2-hydroxyethyl)imidazo[4,5-c]quinolin-1-yl]cyclopentyl]amino]propanenitrile?
The canonical SMILES for 3-[[3-[2-(2-hydroxyethyl)imidazo[4,5-c]quinolin-1-yl]cyclopentyl]amino]propanenitrile is N#CCCNC1CCC(n2c(CCO)nc3cnc4ccccc4c32)C1.
What is the InChIKey of 3-[[3-[2-(2-hydroxyethyl)imidazo[4,5-c]quinolin-1-yl]cyclopentyl]amino]propanenitrile?
The InChIKey is LCYXNZJGRVGIAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c21-9-3-10-22-14-6-7-15(12-14)25-19(8-11-26)24-18-13-23-17-5-2-1-4-16(17)20(18)25/h1-2,4-5,13-15,22,26H,3,6-8,10-12H2.
What are the key properties of 3-[[3-[2-(2-hydroxyethyl)imidazo[4,5-c]quinolin-1-yl]cyclopentyl]amino]propanenitrile?
3-[[3-[2-(2-hydroxyethyl)imidazo[4,5-c]quinolin-1-yl]cyclopentyl]amino]propanenitrile has a molecular weight of 349.44 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-[2-(2-hydroxyethyl)imidazo[4,5-c]quinolin-1-yl]cyclopentyl]amino]propanenitrile is sourced from PubChem (CID 71212485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).