2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-8-[(3R,4R)-4-methoxypyrrolidin-3-yl]oxyquinoline

C24H26N4O4 — CID 25094492

IUPAC2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-8-[(3R,4R)-4-methoxypyrrolidin-3-yl]oxyquinoline
SMILESCOCCOc1ccn2c(-c3ccc4cccc(O[C@@H]5CNC[C@H]5OC)c4n3)cnc2c1
InChIInChI=1S/C24H26N4O4/c1-29-10-11-31-17-8-9-28-19(13-26-23(28)12-17)18-7-6-16-4-3-5-20(24(16)27-18)32-22-15-25-14-21(22)30-2/h3-9,12-13,21-22,25H,10-11,14-15H2,1-2H3/t21-,22-/m1/s1
InChIKeyNQOAYTFDSNONAL-FGZHOGPDSA-N
MW434.50 g/mol
LogP2.94
Rot. Bonds8

About 2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-8-[(3R,4R)-4-methoxypyrrolidin-3-yl]oxyquinoline

2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-8-[(3R,4R)-4-methoxypyrrolidin-3-yl]oxyquinoline (PubChem CID 25094492) has the molecular formula C24H26N4O4 and a molecular weight of 434.50 g/mol. Its IUPAC name is 2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-8-[(3R,4R)-4-methoxypyrrolidin-3-yl]oxyquinoline.

Molecular Properties

Compound Name2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-8-[(3R,4R)-4-methoxypyrrolidin-3-yl]oxyquinoline
PubChem CID25094492
Molecular FormulaC24H26N4O4
Molecular Weight434.50 g/mol
Exact Mass434.20
IUPAC Name2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-8-[(3R,4R)-4-methoxypyrrolidin-3-yl]oxyquinoline
SMILESCOCCOc1ccn2c(-c3ccc4cccc(O[C@@H]5CNC[C@H]5OC)c4n3)cnc2c1
InChIInChI=1S/C24H26N4O4/c1-29-10-11-31-17-8-9-28-19(13-26-23(28)12-17)18-7-6-16-4-3-5-20(24(16)27-18)32-22-15-25-14-21(22)30-2/h3-9,12-13,21-22,25H,10-11,14-15H2,1-2H3/t21-,22-/m1/s1
InChIKeyNQOAYTFDSNONAL-FGZHOGPDSA-N
XLogP2.94
TPSA79.14 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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-[(3R,4R)-4-methoxypyrrolidin-3-yl]oxyquinoline?
The IUPAC name of 2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-8-[(3R,4R)-4-methoxypyrrolidin-3-yl]oxyquinoline (CID 25094492) is 2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-8-[(3R,4R)-4-methoxypyrrolidin-3-yl]oxyquinoline.
What is the SMILES notation for 2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-8-[(3R,4R)-4-methoxypyrrolidin-3-yl]oxyquinoline?
The canonical SMILES for 2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-8-[(3R,4R)-4-methoxypyrrolidin-3-yl]oxyquinoline is COCCOc1ccn2c(-c3ccc4cccc(O[C@@H]5CNC[C@H]5OC)c4n3)cnc2c1.
What is the InChIKey of 2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-8-[(3R,4R)-4-methoxypyrrolidin-3-yl]oxyquinoline?
The InChIKey is NQOAYTFDSNONAL-FGZHOGPDSA-N. The full InChI is InChI=1S/C24H26N4O4/c1-29-10-11-31-17-8-9-28-19(13-26-23(28)12-17)18-7-6-16-4-3-5-20(24(16)27-18)32-22-15-25-14-21(22)30-2/h3-9,12-13,21-22,25H,10-11,14-15H2,1-2H3/t21-,22-/m1/s1.
What are the key properties of 2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-8-[(3R,4R)-4-methoxypyrrolidin-3-yl]oxyquinoline?
2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-8-[(3R,4R)-4-methoxypyrrolidin-3-yl]oxyquinoline has a molecular weight of 434.50 g/mol, XLogP of 2.94, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-8-[(3R,4R)-4-methoxypyrrolidin-3-yl]oxyquinoline is sourced from PubChem (CID 25094492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).