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

C25H28N4O3 — CID 59176348

IUPAC2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-8-(1-methylpiperidin-4-yl)oxyquinoline
SMILESCOCCOc1ccn2c(-c3ccc4cccc(OC5CCN(C)CC5)c4n3)cnc2c1
InChIInChI=1S/C25H28N4O3/c1-28-11-8-19(9-12-28)32-23-5-3-4-18-6-7-21(27-25(18)23)22-17-26-24-16-20(10-13-29(22)24)31-15-14-30-2/h3-7,10,13,16-17,19H,8-9,11-12,14-15H2,1-2H3
InChIKeyXZMAHDRRCQRMHC-UHFFFAOYSA-N
MW432.52 g/mol
LogP4.05
Rot. Bonds7

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

2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-8-(1-methylpiperidin-4-yl)oxyquinoline (PubChem CID 59176348) 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-(1-methylpiperidin-4-yl)oxyquinoline.

Molecular Properties

Compound Name2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-8-(1-methylpiperidin-4-yl)oxyquinoline
PubChem CID59176348
Molecular FormulaC25H28N4O3
Molecular Weight432.52 g/mol
Exact Mass432.22
IUPAC Name2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-8-(1-methylpiperidin-4-yl)oxyquinoline
SMILESCOCCOc1ccn2c(-c3ccc4cccc(OC5CCN(C)CC5)c4n3)cnc2c1
InChIInChI=1S/C25H28N4O3/c1-28-11-8-19(9-12-28)32-23-5-3-4-18-6-7-21(27-25(18)23)22-17-26-24-16-20(10-13-29(22)24)31-15-14-30-2/h3-7,10,13,16-17,19H,8-9,11-12,14-15H2,1-2H3
InChIKeyXZMAHDRRCQRMHC-UHFFFAOYSA-N
XLogP4.05
TPSA61.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 54.05
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 2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-8-(1-methylpiperidin-4-yl)oxyquinoline?
The IUPAC name of 2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-8-(1-methylpiperidin-4-yl)oxyquinoline (CID 59176348) is 2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-8-(1-methylpiperidin-4-yl)oxyquinoline.
What is the SMILES notation for 2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-8-(1-methylpiperidin-4-yl)oxyquinoline?
The canonical SMILES for 2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-8-(1-methylpiperidin-4-yl)oxyquinoline is COCCOc1ccn2c(-c3ccc4cccc(OC5CCN(C)CC5)c4n3)cnc2c1.
What is the InChIKey of 2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-8-(1-methylpiperidin-4-yl)oxyquinoline?
The InChIKey is XZMAHDRRCQRMHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O3/c1-28-11-8-19(9-12-28)32-23-5-3-4-18-6-7-21(27-25(18)23)22-17-26-24-16-20(10-13-29(22)24)31-15-14-30-2/h3-7,10,13,16-17,19H,8-9,11-12,14-15H2,1-2H3.
What are the key properties of 2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-8-(1-methylpiperidin-4-yl)oxyquinoline?
2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-8-(1-methylpiperidin-4-yl)oxyquinoline has a molecular weight of 432.52 g/mol, XLogP of 4.05, 7 rotatable bonds, 0 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-(1-methylpiperidin-4-yl)oxyquinoline is sourced from PubChem (CID 59176348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).