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

C15H18N2O — CID 71574713

IUPAC7-butoxy-4,5-dihydroimidazo[1,2-a]quinoline
SMILESCCCCOc1ccc2c(c1)CCc1nccn1-2
InChIInChI=1S/C15H18N2O/c1-2-3-10-18-13-5-6-14-12(11-13)4-7-15-16-8-9-17(14)15/h5-6,8-9,11H,2-4,7,10H2,1H3
InChIKeyRBRLHDNXSSASQZ-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.15
Rot. Bonds4

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

7-butoxy-4,5-dihydroimidazo[1,2-a]quinoline (PubChem CID 71574713) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 7-butoxy-4,5-dihydroimidazo[1,2-a]quinoline.

Molecular Properties

Compound Name7-butoxy-4,5-dihydroimidazo[1,2-a]quinoline
PubChem CID71574713
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name7-butoxy-4,5-dihydroimidazo[1,2-a]quinoline
SMILESCCCCOc1ccc2c(c1)CCc1nccn1-2
InChIInChI=1S/C15H18N2O/c1-2-3-10-18-13-5-6-14-12(11-13)4-7-15-16-8-9-17(14)15/h5-6,8-9,11H,2-4,7,10H2,1H3
InChIKeyRBRLHDNXSSASQZ-UHFFFAOYSA-N
XLogP3.15
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.15
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-butoxy-4,5-dihydroimidazo[1,2-a]quinoline?
The IUPAC name of 7-butoxy-4,5-dihydroimidazo[1,2-a]quinoline (CID 71574713) is 7-butoxy-4,5-dihydroimidazo[1,2-a]quinoline.
What is the SMILES notation for 7-butoxy-4,5-dihydroimidazo[1,2-a]quinoline?
The canonical SMILES for 7-butoxy-4,5-dihydroimidazo[1,2-a]quinoline is CCCCOc1ccc2c(c1)CCc1nccn1-2.
What is the InChIKey of 7-butoxy-4,5-dihydroimidazo[1,2-a]quinoline?
The InChIKey is RBRLHDNXSSASQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-2-3-10-18-13-5-6-14-12(11-13)4-7-15-16-8-9-17(14)15/h5-6,8-9,11H,2-4,7,10H2,1H3.
What are the key properties of 7-butoxy-4,5-dihydroimidazo[1,2-a]quinoline?
7-butoxy-4,5-dihydroimidazo[1,2-a]quinoline has a molecular weight of 242.32 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-butoxy-4,5-dihydroimidazo[1,2-a]quinoline is sourced from PubChem (CID 71574713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).