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

C24H24N4O3 — CID 68600936

IUPAC1-[2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinolin-8-yl]piperidin-4-one
SMILESCOCCOc1ccn2c(-c3ccc4cccc(N5CCC(=O)CC5)c4n3)cnc2c1
InChIInChI=1S/C24H24N4O3/c1-30-13-14-31-19-9-12-28-22(16-25-23(28)15-19)20-6-5-17-3-2-4-21(24(17)26-20)27-10-7-18(29)8-11-27/h2-6,9,12,15-16H,7-8,10-11,13-14H2,1H3
InChIKeyZDVGWRZTMVVONN-UHFFFAOYSA-N
MW416.48 g/mol
LogP3.74
Rot. Bonds6

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

1-[2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinolin-8-yl]piperidin-4-one (PubChem CID 68600936) has the molecular formula C24H24N4O3 and a molecular weight of 416.48 g/mol. Its IUPAC name is 1-[2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinolin-8-yl]piperidin-4-one.

Molecular Properties

Compound Name1-[2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinolin-8-yl]piperidin-4-one
PubChem CID68600936
Molecular FormulaC24H24N4O3
Molecular Weight416.48 g/mol
Exact Mass416.18
IUPAC Name1-[2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinolin-8-yl]piperidin-4-one
SMILESCOCCOc1ccn2c(-c3ccc4cccc(N5CCC(=O)CC5)c4n3)cnc2c1
InChIInChI=1S/C24H24N4O3/c1-30-13-14-31-19-9-12-28-22(16-25-23(28)15-19)20-6-5-17-3-2-4-21(24(17)26-20)27-10-7-18(29)8-11-27/h2-6,9,12,15-16H,7-8,10-11,13-14H2,1H3
InChIKeyZDVGWRZTMVVONN-UHFFFAOYSA-N
XLogP3.74
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 53.74
H-Bond Donors ≤ 50
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 1-[2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinolin-8-yl]piperidin-4-one?
The IUPAC name of 1-[2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinolin-8-yl]piperidin-4-one (CID 68600936) is 1-[2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinolin-8-yl]piperidin-4-one.
What is the SMILES notation for 1-[2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinolin-8-yl]piperidin-4-one?
The canonical SMILES for 1-[2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinolin-8-yl]piperidin-4-one is COCCOc1ccn2c(-c3ccc4cccc(N5CCC(=O)CC5)c4n3)cnc2c1.
What is the InChIKey of 1-[2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinolin-8-yl]piperidin-4-one?
The InChIKey is ZDVGWRZTMVVONN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3/c1-30-13-14-31-19-9-12-28-22(16-25-23(28)15-19)20-6-5-17-3-2-4-21(24(17)26-20)27-10-7-18(29)8-11-27/h2-6,9,12,15-16H,7-8,10-11,13-14H2,1H3.
What are the key properties of 1-[2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinolin-8-yl]piperidin-4-one?
1-[2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinolin-8-yl]piperidin-4-one has a molecular weight of 416.48 g/mol, XLogP of 3.74, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinolin-8-yl]piperidin-4-one is sourced from PubChem (CID 68600936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).