7-heptoxy-4,5-dihydroimidazo[1,2-a]quinoline

C18H24N2O — CID 71574716

IUPAC7-heptoxy-4,5-dihydroimidazo[1,2-a]quinoline
SMILESCCCCCCCOc1ccc2c(c1)CCc1nccn1-2
InChIInChI=1S/C18H24N2O/c1-2-3-4-5-6-13-21-16-8-9-17-15(14-16)7-10-18-19-11-12-20(17)18/h8-9,11-12,14H,2-7,10,13H2,1H3
InChIKeyCCONZSTZWHMHEM-UHFFFAOYSA-N
MW284.40 g/mol
LogP4.32
Rot. Bonds7

About 7-heptoxy-4,5-dihydroimidazo[1,2-a]quinoline

7-heptoxy-4,5-dihydroimidazo[1,2-a]quinoline (PubChem CID 71574716) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 7-heptoxy-4,5-dihydroimidazo[1,2-a]quinoline.

Molecular Properties

Compound Name7-heptoxy-4,5-dihydroimidazo[1,2-a]quinoline
PubChem CID71574716
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name7-heptoxy-4,5-dihydroimidazo[1,2-a]quinoline
SMILESCCCCCCCOc1ccc2c(c1)CCc1nccn1-2
InChIInChI=1S/C18H24N2O/c1-2-3-4-5-6-13-21-16-8-9-17-15(14-16)7-10-18-19-11-12-20(17)18/h8-9,11-12,14H,2-7,10,13H2,1H3
InChIKeyCCONZSTZWHMHEM-UHFFFAOYSA-N
XLogP4.32
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 7-heptoxy-4,5-dihydroimidazo[1,2-a]quinoline?
The IUPAC name of 7-heptoxy-4,5-dihydroimidazo[1,2-a]quinoline (CID 71574716) is 7-heptoxy-4,5-dihydroimidazo[1,2-a]quinoline.
What is the SMILES notation for 7-heptoxy-4,5-dihydroimidazo[1,2-a]quinoline?
The canonical SMILES for 7-heptoxy-4,5-dihydroimidazo[1,2-a]quinoline is CCCCCCCOc1ccc2c(c1)CCc1nccn1-2.
What is the InChIKey of 7-heptoxy-4,5-dihydroimidazo[1,2-a]quinoline?
The InChIKey is CCONZSTZWHMHEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-2-3-4-5-6-13-21-16-8-9-17-15(14-16)7-10-18-19-11-12-20(17)18/h8-9,11-12,14H,2-7,10,13H2,1H3.
What are the key properties of 7-heptoxy-4,5-dihydroimidazo[1,2-a]quinoline?
7-heptoxy-4,5-dihydroimidazo[1,2-a]quinoline has a molecular weight of 284.40 g/mol, XLogP of 4.32, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-heptoxy-4,5-dihydroimidazo[1,2-a]quinoline is sourced from PubChem (CID 71574716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).