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

C21H22N4O3 — CID 25094494

IUPAC2-[2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinolin-8-yl]oxyethanamine
SMILESCOCCOc1ccn2c(-c3ccc4cccc(OCCN)c4n3)cnc2c1
InChIInChI=1S/C21H22N4O3/c1-26-11-12-27-16-7-9-25-18(14-23-20(25)13-16)17-6-5-15-3-2-4-19(21(15)24-17)28-10-8-22/h2-7,9,13-14H,8,10-12,22H2,1H3
InChIKeyXZOOZZGHEVFMAJ-UHFFFAOYSA-N
MW378.43 g/mol
LogP2.91
Rot. Bonds8

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

2-[2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinolin-8-yl]oxyethanamine (PubChem CID 25094494) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is 2-[2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinolin-8-yl]oxyethanamine.

Molecular Properties

Compound Name2-[2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinolin-8-yl]oxyethanamine
PubChem CID25094494
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Name2-[2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinolin-8-yl]oxyethanamine
SMILESCOCCOc1ccn2c(-c3ccc4cccc(OCCN)c4n3)cnc2c1
InChIInChI=1S/C21H22N4O3/c1-26-11-12-27-16-7-9-25-18(14-23-20(25)13-16)17-6-5-15-3-2-4-19(21(15)24-17)28-10-8-22/h2-7,9,13-14H,8,10-12,22H2,1H3
InChIKeyXZOOZZGHEVFMAJ-UHFFFAOYSA-N
XLogP2.91
TPSA83.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 52.91
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-[2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinolin-8-yl]oxyethanamine?
The IUPAC name of 2-[2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinolin-8-yl]oxyethanamine (CID 25094494) is 2-[2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinolin-8-yl]oxyethanamine.
What is the SMILES notation for 2-[2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinolin-8-yl]oxyethanamine?
The canonical SMILES for 2-[2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinolin-8-yl]oxyethanamine is COCCOc1ccn2c(-c3ccc4cccc(OCCN)c4n3)cnc2c1.
What is the InChIKey of 2-[2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinolin-8-yl]oxyethanamine?
The InChIKey is XZOOZZGHEVFMAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-26-11-12-27-16-7-9-25-18(14-23-20(25)13-16)17-6-5-15-3-2-4-19(21(15)24-17)28-10-8-22/h2-7,9,13-14H,8,10-12,22H2,1H3.
What are the key properties of 2-[2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinolin-8-yl]oxyethanamine?
2-[2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinolin-8-yl]oxyethanamine has a molecular weight of 378.43 g/mol, XLogP of 2.91, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinolin-8-yl]oxyethanamine is sourced from PubChem (CID 25094494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).