1-[2-(3-pyridin-2-ylprop-2-ynoxy)ethyl]imidazo[4,5-c]quinoline

C20H16N4O — CID 141052958

IUPAC1-[2-(3-pyridin-2-ylprop-2-ynoxy)ethyl]imidazo[4,5-c]quinoline
SMILESC(#Cc1ccccn1)COCCn1cnc2cnc3ccccc3c21
InChIInChI=1S/C20H16N4O/c1-2-9-18-17(8-1)20-19(14-22-18)23-15-24(20)11-13-25-12-5-7-16-6-3-4-10-21-16/h1-4,6,8-10,14-15H,11-13H2
InChIKeyCLDWIFOJUGJXTE-UHFFFAOYSA-N
MW328.38 g/mol
LogP3.05
Rot. Bonds4

About 1-[2-(3-pyridin-2-ylprop-2-ynoxy)ethyl]imidazo[4,5-c]quinoline

1-[2-(3-pyridin-2-ylprop-2-ynoxy)ethyl]imidazo[4,5-c]quinoline (PubChem CID 141052958) has the molecular formula C20H16N4O and a molecular weight of 328.38 g/mol. Its IUPAC name is 1-[2-(3-pyridin-2-ylprop-2-ynoxy)ethyl]imidazo[4,5-c]quinoline.

Molecular Properties

Compound Name1-[2-(3-pyridin-2-ylprop-2-ynoxy)ethyl]imidazo[4,5-c]quinoline
PubChem CID141052958
Molecular FormulaC20H16N4O
Molecular Weight328.38 g/mol
Exact Mass328.13
IUPAC Name1-[2-(3-pyridin-2-ylprop-2-ynoxy)ethyl]imidazo[4,5-c]quinoline
SMILESC(#Cc1ccccn1)COCCn1cnc2cnc3ccccc3c21
InChIInChI=1S/C20H16N4O/c1-2-9-18-17(8-1)20-19(14-22-18)23-15-24(20)11-13-25-12-5-7-16-6-3-4-10-21-16/h1-4,6,8-10,14-15H,11-13H2
InChIKeyCLDWIFOJUGJXTE-UHFFFAOYSA-N
XLogP3.05
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-pyridin-2-ylprop-2-ynoxy)ethyl]imidazo[4,5-c]quinoline?
The IUPAC name of 1-[2-(3-pyridin-2-ylprop-2-ynoxy)ethyl]imidazo[4,5-c]quinoline (CID 141052958) is 1-[2-(3-pyridin-2-ylprop-2-ynoxy)ethyl]imidazo[4,5-c]quinoline.
What is the SMILES notation for 1-[2-(3-pyridin-2-ylprop-2-ynoxy)ethyl]imidazo[4,5-c]quinoline?
The canonical SMILES for 1-[2-(3-pyridin-2-ylprop-2-ynoxy)ethyl]imidazo[4,5-c]quinoline is C(#Cc1ccccn1)COCCn1cnc2cnc3ccccc3c21.
What is the InChIKey of 1-[2-(3-pyridin-2-ylprop-2-ynoxy)ethyl]imidazo[4,5-c]quinoline?
The InChIKey is CLDWIFOJUGJXTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O/c1-2-9-18-17(8-1)20-19(14-22-18)23-15-24(20)11-13-25-12-5-7-16-6-3-4-10-21-16/h1-4,6,8-10,14-15H,11-13H2.
What are the key properties of 1-[2-(3-pyridin-2-ylprop-2-ynoxy)ethyl]imidazo[4,5-c]quinoline?
1-[2-(3-pyridin-2-ylprop-2-ynoxy)ethyl]imidazo[4,5-c]quinoline has a molecular weight of 328.38 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-pyridin-2-ylprop-2-ynoxy)ethyl]imidazo[4,5-c]quinoline is sourced from PubChem (CID 141052958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).