2-prop-2-enoxy-4-prop-2-ynoxyquinoline

C15H13NO2 — CID 46886296

IUPAC2-prop-2-enoxy-4-prop-2-ynoxyquinoline
SMILESC#CCOc1cc(OCC=C)nc2ccccc12
InChIInChI=1S/C15H13NO2/c1-3-9-17-14-11-15(18-10-4-2)16-13-8-6-5-7-12(13)14/h1,4-8,11H,2,9-10H2
InChIKeyWTAWSXDIMYTITA-UHFFFAOYSA-N
MW239.27 g/mol
LogP2.81
Rot. Bonds5

About 2-prop-2-enoxy-4-prop-2-ynoxyquinoline

2-prop-2-enoxy-4-prop-2-ynoxyquinoline (PubChem CID 46886296) has the molecular formula C15H13NO2 and a molecular weight of 239.27 g/mol. Its IUPAC name is 2-prop-2-enoxy-4-prop-2-ynoxyquinoline.

Molecular Properties

Compound Name2-prop-2-enoxy-4-prop-2-ynoxyquinoline
PubChem CID46886296
Molecular FormulaC15H13NO2
Molecular Weight239.27 g/mol
Exact Mass239.09
IUPAC Name2-prop-2-enoxy-4-prop-2-ynoxyquinoline
SMILESC#CCOc1cc(OCC=C)nc2ccccc12
InChIInChI=1S/C15H13NO2/c1-3-9-17-14-11-15(18-10-4-2)16-13-8-6-5-7-12(13)14/h1,4-8,11H,2,9-10H2
InChIKeyWTAWSXDIMYTITA-UHFFFAOYSA-N
XLogP2.81
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enoxy-4-prop-2-ynoxyquinoline?
The IUPAC name of 2-prop-2-enoxy-4-prop-2-ynoxyquinoline (CID 46886296) is 2-prop-2-enoxy-4-prop-2-ynoxyquinoline.
What is the SMILES notation for 2-prop-2-enoxy-4-prop-2-ynoxyquinoline?
The canonical SMILES for 2-prop-2-enoxy-4-prop-2-ynoxyquinoline is C#CCOc1cc(OCC=C)nc2ccccc12.
What is the InChIKey of 2-prop-2-enoxy-4-prop-2-ynoxyquinoline?
The InChIKey is WTAWSXDIMYTITA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2/c1-3-9-17-14-11-15(18-10-4-2)16-13-8-6-5-7-12(13)14/h1,4-8,11H,2,9-10H2.
What are the key properties of 2-prop-2-enoxy-4-prop-2-ynoxyquinoline?
2-prop-2-enoxy-4-prop-2-ynoxyquinoline has a molecular weight of 239.27 g/mol, XLogP of 2.81, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enoxy-4-prop-2-ynoxyquinoline is sourced from PubChem (CID 46886296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).