2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-8-[(3S)-piperidin-3-yl]oxyquinoline

C24H26N4O3 — CID 25098430

IUPAC2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-8-[(3S)-piperidin-3-yl]oxyquinoline
SMILESCOCCOc1ccn2c(-c3ccc4cccc(O[C@H]5CCCNC5)c4n3)cnc2c1
InChIInChI=1S/C24H26N4O3/c1-29-12-13-30-18-9-11-28-21(16-26-23(28)14-18)20-8-7-17-4-2-6-22(24(17)27-20)31-19-5-3-10-25-15-19/h2,4,6-9,11,14,16,19,25H,3,5,10,12-13,15H2,1H3/t19-/m0/s1
InChIKeyTXAFYFWHBVJGHQ-IBGZPJMESA-N
MW418.50 g/mol
LogP3.71
Rot. Bonds7

About 2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-8-[(3S)-piperidin-3-yl]oxyquinoline

2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-8-[(3S)-piperidin-3-yl]oxyquinoline (PubChem CID 25098430) 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-[(3S)-piperidin-3-yl]oxyquinoline.

Molecular Properties

Compound Name2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-8-[(3S)-piperidin-3-yl]oxyquinoline
PubChem CID25098430
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC Name2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-8-[(3S)-piperidin-3-yl]oxyquinoline
SMILESCOCCOc1ccn2c(-c3ccc4cccc(O[C@H]5CCCNC5)c4n3)cnc2c1
InChIInChI=1S/C24H26N4O3/c1-29-12-13-30-18-9-11-28-21(16-26-23(28)14-18)20-8-7-17-4-2-6-22(24(17)27-20)31-19-5-3-10-25-15-19/h2,4,6-9,11,14,16,19,25H,3,5,10,12-13,15H2,1H3/t19-/m0/s1
InChIKeyTXAFYFWHBVJGHQ-IBGZPJMESA-N
XLogP3.71
TPSA69.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 53.71
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-[(3S)-piperidin-3-yl]oxyquinoline?
The IUPAC name of 2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-8-[(3S)-piperidin-3-yl]oxyquinoline (CID 25098430) is 2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-8-[(3S)-piperidin-3-yl]oxyquinoline.
What is the SMILES notation for 2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-8-[(3S)-piperidin-3-yl]oxyquinoline?
The canonical SMILES for 2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-8-[(3S)-piperidin-3-yl]oxyquinoline is COCCOc1ccn2c(-c3ccc4cccc(O[C@H]5CCCNC5)c4n3)cnc2c1.
What is the InChIKey of 2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-8-[(3S)-piperidin-3-yl]oxyquinoline?
The InChIKey is TXAFYFWHBVJGHQ-IBGZPJMESA-N. The full InChI is InChI=1S/C24H26N4O3/c1-29-12-13-30-18-9-11-28-21(16-26-23(28)14-18)20-8-7-17-4-2-6-22(24(17)27-20)31-19-5-3-10-25-15-19/h2,4,6-9,11,14,16,19,25H,3,5,10,12-13,15H2,1H3/t19-/m0/s1.
What are the key properties of 2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-8-[(3S)-piperidin-3-yl]oxyquinoline?
2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-8-[(3S)-piperidin-3-yl]oxyquinoline has a molecular weight of 418.50 g/mol, XLogP of 3.71, 7 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-[(3S)-piperidin-3-yl]oxyquinoline is sourced from PubChem (CID 25098430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).