2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-8-(piperidin-4-ylmethoxy)quinoline

C25H28N4O3 — CID 25098428

IUPAC2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-8-(piperidin-4-ylmethoxy)quinoline
SMILESCOCCOc1ccn2c(-c3ccc4cccc(OCC5CCNCC5)c4n3)cnc2c1
InChIInChI=1S/C25H28N4O3/c1-30-13-14-31-20-9-12-29-22(16-27-24(29)15-20)21-6-5-19-3-2-4-23(25(19)28-21)32-17-18-7-10-26-11-8-18/h2-6,9,12,15-16,18,26H,7-8,10-11,13-14,17H2,1H3
InChIKeyGQNJNGOQHBAXOL-UHFFFAOYSA-N
MW432.52 g/mol
LogP3.95
Rot. Bonds8

About 2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-8-(piperidin-4-ylmethoxy)quinoline

2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-8-(piperidin-4-ylmethoxy)quinoline (PubChem CID 25098428) has the molecular formula C25H28N4O3 and a molecular weight of 432.52 g/mol. Its IUPAC name is 2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-8-(piperidin-4-ylmethoxy)quinoline.

Molecular Properties

Compound Name2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-8-(piperidin-4-ylmethoxy)quinoline
PubChem CID25098428
Molecular FormulaC25H28N4O3
Molecular Weight432.52 g/mol
Exact Mass432.22
IUPAC Name2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-8-(piperidin-4-ylmethoxy)quinoline
SMILESCOCCOc1ccn2c(-c3ccc4cccc(OCC5CCNCC5)c4n3)cnc2c1
InChIInChI=1S/C25H28N4O3/c1-30-13-14-31-20-9-12-29-22(16-27-24(29)15-20)21-6-5-19-3-2-4-23(25(19)28-21)32-17-18-7-10-26-11-8-18/h2-6,9,12,15-16,18,26H,7-8,10-11,13-14,17H2,1H3
InChIKeyGQNJNGOQHBAXOL-UHFFFAOYSA-N
XLogP3.95
TPSA69.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-8-(piperidin-4-ylmethoxy)quinoline?
The IUPAC name of 2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-8-(piperidin-4-ylmethoxy)quinoline (CID 25098428) is 2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-8-(piperidin-4-ylmethoxy)quinoline.
What is the SMILES notation for 2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-8-(piperidin-4-ylmethoxy)quinoline?
The canonical SMILES for 2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-8-(piperidin-4-ylmethoxy)quinoline is COCCOc1ccn2c(-c3ccc4cccc(OCC5CCNCC5)c4n3)cnc2c1.
What is the InChIKey of 2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-8-(piperidin-4-ylmethoxy)quinoline?
The InChIKey is GQNJNGOQHBAXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O3/c1-30-13-14-31-20-9-12-29-22(16-27-24(29)15-20)21-6-5-19-3-2-4-23(25(19)28-21)32-17-18-7-10-26-11-8-18/h2-6,9,12,15-16,18,26H,7-8,10-11,13-14,17H2,1H3.
What are the key properties of 2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-8-(piperidin-4-ylmethoxy)quinoline?
2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-8-(piperidin-4-ylmethoxy)quinoline has a molecular weight of 432.52 g/mol, XLogP of 3.95, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-8-(piperidin-4-ylmethoxy)quinoline is sourced from PubChem (CID 25098428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).