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

C24H28N4O3 — CID 25098154

IUPAC3-[2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinolin-8-yl]oxy-2,2-dimethylpropan-1-amine
SMILESCOCCOc1ccn2c(-c3ccc4cccc(OCC(C)(C)CN)c4n3)cnc2c1
InChIInChI=1S/C24H28N4O3/c1-24(2,15-25)16-31-21-6-4-5-17-7-8-19(27-23(17)21)20-14-26-22-13-18(9-10-28(20)22)30-12-11-29-3/h4-10,13-14H,11-12,15-16,25H2,1-3H3
InChIKeyOEQLYHXNGSLNQN-UHFFFAOYSA-N
MW420.51 g/mol
LogP3.94
Rot. Bonds9

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

3-[2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinolin-8-yl]oxy-2,2-dimethylpropan-1-amine (PubChem CID 25098154) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is 3-[2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinolin-8-yl]oxy-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinolin-8-yl]oxy-2,2-dimethylpropan-1-amine
PubChem CID25098154
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC Name3-[2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinolin-8-yl]oxy-2,2-dimethylpropan-1-amine
SMILESCOCCOc1ccn2c(-c3ccc4cccc(OCC(C)(C)CN)c4n3)cnc2c1
InChIInChI=1S/C24H28N4O3/c1-24(2,15-25)16-31-21-6-4-5-17-7-8-19(27-23(17)21)20-14-26-22-13-18(9-10-28(20)22)30-12-11-29-3/h4-10,13-14H,11-12,15-16,25H2,1-3H3
InChIKeyOEQLYHXNGSLNQN-UHFFFAOYSA-N
XLogP3.94
TPSA83.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 53.94
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 3-[2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinolin-8-yl]oxy-2,2-dimethylpropan-1-amine?
The IUPAC name of 3-[2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinolin-8-yl]oxy-2,2-dimethylpropan-1-amine (CID 25098154) is 3-[2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinolin-8-yl]oxy-2,2-dimethylpropan-1-amine.
What is the SMILES notation for 3-[2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinolin-8-yl]oxy-2,2-dimethylpropan-1-amine?
The canonical SMILES for 3-[2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinolin-8-yl]oxy-2,2-dimethylpropan-1-amine is COCCOc1ccn2c(-c3ccc4cccc(OCC(C)(C)CN)c4n3)cnc2c1.
What is the InChIKey of 3-[2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinolin-8-yl]oxy-2,2-dimethylpropan-1-amine?
The InChIKey is OEQLYHXNGSLNQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3/c1-24(2,15-25)16-31-21-6-4-5-17-7-8-19(27-23(17)21)20-14-26-22-13-18(9-10-28(20)22)30-12-11-29-3/h4-10,13-14H,11-12,15-16,25H2,1-3H3.
What are the key properties of 3-[2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinolin-8-yl]oxy-2,2-dimethylpropan-1-amine?
3-[2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinolin-8-yl]oxy-2,2-dimethylpropan-1-amine has a molecular weight of 420.51 g/mol, XLogP of 3.94, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinolin-8-yl]oxy-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 25098154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).