8-(3-quinolin-8-yloxypropoxy)quinoline

C21H18N2O2 — CID 11221212

IUPAC8-(3-quinolin-8-yloxypropoxy)quinoline
SMILESc1cnc2c(OCCCOc3cccc4cccnc34)cccc2c1
InChIInChI=1S/C21H18N2O2/c1-6-16-8-3-12-22-20(16)18(10-1)24-14-5-15-25-19-11-2-7-17-9-4-13-23-21(17)19/h1-4,6-13H,5,14-15H2
InChIKeyGDAQBAKXCXCQGF-UHFFFAOYSA-N
MW330.39 g/mol
LogP4.63
Rot. Bonds6

About 8-(3-quinolin-8-yloxypropoxy)quinoline

8-(3-quinolin-8-yloxypropoxy)quinoline (PubChem CID 11221212) has the molecular formula C21H18N2O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is 8-(3-quinolin-8-yloxypropoxy)quinoline.

Molecular Properties

Compound Name8-(3-quinolin-8-yloxypropoxy)quinoline
PubChem CID11221212
Molecular FormulaC21H18N2O2
Molecular Weight330.39 g/mol
Exact Mass330.14
IUPAC Name8-(3-quinolin-8-yloxypropoxy)quinoline
SMILESc1cnc2c(OCCCOc3cccc4cccnc34)cccc2c1
InChIInChI=1S/C21H18N2O2/c1-6-16-8-3-12-22-20(16)18(10-1)24-14-5-15-25-19-11-2-7-17-9-4-13-23-21(17)19/h1-4,6-13H,5,14-15H2
InChIKeyGDAQBAKXCXCQGF-UHFFFAOYSA-N
XLogP4.63
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 8-(3-quinolin-8-yloxypropoxy)quinoline?
The IUPAC name of 8-(3-quinolin-8-yloxypropoxy)quinoline (CID 11221212) is 8-(3-quinolin-8-yloxypropoxy)quinoline.
What is the SMILES notation for 8-(3-quinolin-8-yloxypropoxy)quinoline?
The canonical SMILES for 8-(3-quinolin-8-yloxypropoxy)quinoline is c1cnc2c(OCCCOc3cccc4cccnc34)cccc2c1.
What is the InChIKey of 8-(3-quinolin-8-yloxypropoxy)quinoline?
The InChIKey is GDAQBAKXCXCQGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O2/c1-6-16-8-3-12-22-20(16)18(10-1)24-14-5-15-25-19-11-2-7-17-9-4-13-23-21(17)19/h1-4,6-13H,5,14-15H2.
What are the key properties of 8-(3-quinolin-8-yloxypropoxy)quinoline?
8-(3-quinolin-8-yloxypropoxy)quinoline has a molecular weight of 330.39 g/mol, XLogP of 4.63, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-quinolin-8-yloxypropoxy)quinoline is sourced from PubChem (CID 11221212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).