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

C24H26N4O3 — CID 25098432

IUPAC2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-8-(pyrrolidin-3-ylmethoxy)quinoline
SMILESCOCCOc1ccn2c(-c3ccc4cccc(OCC5CCNC5)c4n3)cnc2c1
InChIInChI=1S/C24H26N4O3/c1-29-11-12-30-19-8-10-28-21(15-26-23(28)13-19)20-6-5-18-3-2-4-22(24(18)27-20)31-16-17-7-9-25-14-17/h2-6,8,10,13,15,17,25H,7,9,11-12,14,16H2,1H3
InChIKeyIQACVVFBPSXQID-UHFFFAOYSA-N
MW418.50 g/mol
LogP3.56
Rot. Bonds8

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

2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-8-(pyrrolidin-3-ylmethoxy)quinoline (PubChem CID 25098432) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is 2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-8-(pyrrolidin-3-ylmethoxy)quinoline.

Molecular Properties

Compound Name2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-8-(pyrrolidin-3-ylmethoxy)quinoline
PubChem CID25098432
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC Name2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-8-(pyrrolidin-3-ylmethoxy)quinoline
SMILESCOCCOc1ccn2c(-c3ccc4cccc(OCC5CCNC5)c4n3)cnc2c1
InChIInChI=1S/C24H26N4O3/c1-29-11-12-30-19-8-10-28-21(15-26-23(28)13-19)20-6-5-18-3-2-4-22(24(18)27-20)31-16-17-7-9-25-14-17/h2-6,8,10,13,15,17,25H,7,9,11-12,14,16H2,1H3
InChIKeyIQACVVFBPSXQID-UHFFFAOYSA-N
XLogP3.56
TPSA69.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 53.56
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-(pyrrolidin-3-ylmethoxy)quinoline?
The IUPAC name of 2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-8-(pyrrolidin-3-ylmethoxy)quinoline (CID 25098432) is 2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-8-(pyrrolidin-3-ylmethoxy)quinoline.
What is the SMILES notation for 2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-8-(pyrrolidin-3-ylmethoxy)quinoline?
The canonical SMILES for 2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-8-(pyrrolidin-3-ylmethoxy)quinoline is COCCOc1ccn2c(-c3ccc4cccc(OCC5CCNC5)c4n3)cnc2c1.
What is the InChIKey of 2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-8-(pyrrolidin-3-ylmethoxy)quinoline?
The InChIKey is IQACVVFBPSXQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3/c1-29-11-12-30-19-8-10-28-21(15-26-23(28)13-19)20-6-5-18-3-2-4-22(24(18)27-20)31-16-17-7-9-25-14-17/h2-6,8,10,13,15,17,25H,7,9,11-12,14,16H2,1H3.
What are the key properties of 2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-8-(pyrrolidin-3-ylmethoxy)quinoline?
2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-8-(pyrrolidin-3-ylmethoxy)quinoline has a molecular weight of 418.50 g/mol, XLogP of 3.56, 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-(pyrrolidin-3-ylmethoxy)quinoline is sourced from PubChem (CID 25098432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).