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

C25H28N4O3 — CID 25098155

IUPAC4-[2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinolin-8-yl]oxycyclohexan-1-amine
SMILESCOCCOc1ccn2c(-c3ccc4cccc(OC5CCC(N)CC5)c4n3)cnc2c1
InChIInChI=1S/C25H28N4O3/c1-30-13-14-31-20-11-12-29-22(16-27-24(29)15-20)21-10-5-17-3-2-4-23(25(17)28-21)32-19-8-6-18(26)7-9-19/h2-5,10-12,15-16,18-19H,6-9,13-14,26H2,1H3
InChIKeyQQQWALLKBNQXFJ-UHFFFAOYSA-N
MW432.52 g/mol
LogP4.22
Rot. Bonds7

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

4-[2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinolin-8-yl]oxycyclohexan-1-amine (PubChem CID 25098155) has the molecular formula C25H28N4O3 and a molecular weight of 432.52 g/mol. Its IUPAC name is 4-[2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinolin-8-yl]oxycyclohexan-1-amine.

Molecular Properties

Compound Name4-[2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinolin-8-yl]oxycyclohexan-1-amine
PubChem CID25098155
Molecular FormulaC25H28N4O3
Molecular Weight432.52 g/mol
Exact Mass432.22
IUPAC Name4-[2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinolin-8-yl]oxycyclohexan-1-amine
SMILESCOCCOc1ccn2c(-c3ccc4cccc(OC5CCC(N)CC5)c4n3)cnc2c1
InChIInChI=1S/C25H28N4O3/c1-30-13-14-31-20-11-12-29-22(16-27-24(29)15-20)21-10-5-17-3-2-4-23(25(17)28-21)32-19-8-6-18(26)7-9-19/h2-5,10-12,15-16,18-19H,6-9,13-14,26H2,1H3
InChIKeyQQQWALLKBNQXFJ-UHFFFAOYSA-N
XLogP4.22
TPSA83.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 54.22
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 4-[2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinolin-8-yl]oxycyclohexan-1-amine?
The IUPAC name of 4-[2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinolin-8-yl]oxycyclohexan-1-amine (CID 25098155) is 4-[2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinolin-8-yl]oxycyclohexan-1-amine.
What is the SMILES notation for 4-[2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinolin-8-yl]oxycyclohexan-1-amine?
The canonical SMILES for 4-[2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinolin-8-yl]oxycyclohexan-1-amine is COCCOc1ccn2c(-c3ccc4cccc(OC5CCC(N)CC5)c4n3)cnc2c1.
What is the InChIKey of 4-[2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinolin-8-yl]oxycyclohexan-1-amine?
The InChIKey is QQQWALLKBNQXFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O3/c1-30-13-14-31-20-11-12-29-22(16-27-24(29)15-20)21-10-5-17-3-2-4-23(25(17)28-21)32-19-8-6-18(26)7-9-19/h2-5,10-12,15-16,18-19H,6-9,13-14,26H2,1H3.
What are the key properties of 4-[2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinolin-8-yl]oxycyclohexan-1-amine?
4-[2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinolin-8-yl]oxycyclohexan-1-amine has a molecular weight of 432.52 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinolin-8-yl]oxycyclohexan-1-amine is sourced from PubChem (CID 25098155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).