8-cinnolin-3-yloxyoctan-1-ol

C16H22N2O2 — CID 19898705

IUPAC8-cinnolin-3-yloxyoctan-1-ol
SMILESOCCCCCCCCOc1cc2ccccc2nn1
InChIInChI=1S/C16H22N2O2/c19-11-7-3-1-2-4-8-12-20-16-13-14-9-5-6-10-15(14)17-18-16/h5-6,9-10,13,19H,1-4,7-8,11-12H2
InChIKeyBMRJCLYIWAZPKY-UHFFFAOYSA-N
MW274.36 g/mol
LogP3.34
Rot. Bonds9

About 8-cinnolin-3-yloxyoctan-1-ol

8-cinnolin-3-yloxyoctan-1-ol (PubChem CID 19898705) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 8-cinnolin-3-yloxyoctan-1-ol.

Molecular Properties

Compound Name8-cinnolin-3-yloxyoctan-1-ol
PubChem CID19898705
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name8-cinnolin-3-yloxyoctan-1-ol
SMILESOCCCCCCCCOc1cc2ccccc2nn1
InChIInChI=1S/C16H22N2O2/c19-11-7-3-1-2-4-8-12-20-16-13-14-9-5-6-10-15(14)17-18-16/h5-6,9-10,13,19H,1-4,7-8,11-12H2
InChIKeyBMRJCLYIWAZPKY-UHFFFAOYSA-N
XLogP3.34
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.34
H-Bond Donors ≤ 51
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-cinnolin-3-yloxyoctan-1-ol?
The IUPAC name of 8-cinnolin-3-yloxyoctan-1-ol (CID 19898705) is 8-cinnolin-3-yloxyoctan-1-ol.
What is the SMILES notation for 8-cinnolin-3-yloxyoctan-1-ol?
The canonical SMILES for 8-cinnolin-3-yloxyoctan-1-ol is OCCCCCCCCOc1cc2ccccc2nn1.
What is the InChIKey of 8-cinnolin-3-yloxyoctan-1-ol?
The InChIKey is BMRJCLYIWAZPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c19-11-7-3-1-2-4-8-12-20-16-13-14-9-5-6-10-15(14)17-18-16/h5-6,9-10,13,19H,1-4,7-8,11-12H2.
What are the key properties of 8-cinnolin-3-yloxyoctan-1-ol?
8-cinnolin-3-yloxyoctan-1-ol has a molecular weight of 274.36 g/mol, XLogP of 3.34, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cinnolin-3-yloxyoctan-1-ol is sourced from PubChem (CID 19898705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).