1-[1-(2-piperidin-4-ylethoxy)butan-2-yl]imidazo[4,5-c]quinoline

C21H28N4O — CID 141058082

IUPAC1-[1-(2-piperidin-4-ylethoxy)butan-2-yl]imidazo[4,5-c]quinoline
SMILESCCC(COCCC1CCNCC1)n1cnc2cnc3ccccc3c21
InChIInChI=1S/C21H28N4O/c1-2-17(14-26-12-9-16-7-10-22-11-8-16)25-15-24-20-13-23-19-6-4-3-5-18(19)21(20)25/h3-6,13,15-17,22H,2,7-12,14H2,1H3
InChIKeyYEKOJEVHJZNKAU-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.94
Rot. Bonds7

About 1-[1-(2-piperidin-4-ylethoxy)butan-2-yl]imidazo[4,5-c]quinoline

1-[1-(2-piperidin-4-ylethoxy)butan-2-yl]imidazo[4,5-c]quinoline (PubChem CID 141058082) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is 1-[1-(2-piperidin-4-ylethoxy)butan-2-yl]imidazo[4,5-c]quinoline.

Molecular Properties

Compound Name1-[1-(2-piperidin-4-ylethoxy)butan-2-yl]imidazo[4,5-c]quinoline
PubChem CID141058082
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC Name1-[1-(2-piperidin-4-ylethoxy)butan-2-yl]imidazo[4,5-c]quinoline
SMILESCCC(COCCC1CCNCC1)n1cnc2cnc3ccccc3c21
InChIInChI=1S/C21H28N4O/c1-2-17(14-26-12-9-16-7-10-22-11-8-16)25-15-24-20-13-23-19-6-4-3-5-18(19)21(20)25/h3-6,13,15-17,22H,2,7-12,14H2,1H3
InChIKeyYEKOJEVHJZNKAU-UHFFFAOYSA-N
XLogP3.94
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 1-[1-(2-piperidin-4-ylethoxy)butan-2-yl]imidazo[4,5-c]quinoline?
The IUPAC name of 1-[1-(2-piperidin-4-ylethoxy)butan-2-yl]imidazo[4,5-c]quinoline (CID 141058082) is 1-[1-(2-piperidin-4-ylethoxy)butan-2-yl]imidazo[4,5-c]quinoline.
What is the SMILES notation for 1-[1-(2-piperidin-4-ylethoxy)butan-2-yl]imidazo[4,5-c]quinoline?
The canonical SMILES for 1-[1-(2-piperidin-4-ylethoxy)butan-2-yl]imidazo[4,5-c]quinoline is CCC(COCCC1CCNCC1)n1cnc2cnc3ccccc3c21.
What is the InChIKey of 1-[1-(2-piperidin-4-ylethoxy)butan-2-yl]imidazo[4,5-c]quinoline?
The InChIKey is YEKOJEVHJZNKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O/c1-2-17(14-26-12-9-16-7-10-22-11-8-16)25-15-24-20-13-23-19-6-4-3-5-18(19)21(20)25/h3-6,13,15-17,22H,2,7-12,14H2,1H3.
What are the key properties of 1-[1-(2-piperidin-4-ylethoxy)butan-2-yl]imidazo[4,5-c]quinoline?
1-[1-(2-piperidin-4-ylethoxy)butan-2-yl]imidazo[4,5-c]quinoline has a molecular weight of 352.48 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-piperidin-4-ylethoxy)butan-2-yl]imidazo[4,5-c]quinoline is sourced from PubChem (CID 141058082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).