5-prop-2-ynoxy-2H-pyrano[3,2-c]quinoline

C15H11NO2 — CID 10444162

IUPAC5-prop-2-ynoxy-2H-pyrano[3,2-c]quinoline
SMILESC#CCOc1nc2ccccc2c2c1C=CCO2
InChIInChI=1S/C15H11NO2/c1-2-9-18-15-12-7-5-10-17-14(12)11-6-3-4-8-13(11)16-15/h1,3-8H,9-10H2
InChIKeyVBYXQPXTABVNBX-UHFFFAOYSA-N
MW237.26 g/mol
LogP2.65
Rot. Bonds2

About 5-prop-2-ynoxy-2H-pyrano[3,2-c]quinoline

5-prop-2-ynoxy-2H-pyrano[3,2-c]quinoline (PubChem CID 10444162) has the molecular formula C15H11NO2 and a molecular weight of 237.26 g/mol. Its IUPAC name is 5-prop-2-ynoxy-2H-pyrano[3,2-c]quinoline.

Molecular Properties

Compound Name5-prop-2-ynoxy-2H-pyrano[3,2-c]quinoline
PubChem CID10444162
Molecular FormulaC15H11NO2
Molecular Weight237.26 g/mol
Exact Mass237.08
IUPAC Name5-prop-2-ynoxy-2H-pyrano[3,2-c]quinoline
SMILESC#CCOc1nc2ccccc2c2c1C=CCO2
InChIInChI=1S/C15H11NO2/c1-2-9-18-15-12-7-5-10-17-14(12)11-6-3-4-8-13(11)16-15/h1,3-8H,9-10H2
InChIKeyVBYXQPXTABVNBX-UHFFFAOYSA-N
XLogP2.65
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-prop-2-ynoxy-2H-pyrano[3,2-c]quinoline?
The IUPAC name of 5-prop-2-ynoxy-2H-pyrano[3,2-c]quinoline (CID 10444162) is 5-prop-2-ynoxy-2H-pyrano[3,2-c]quinoline.
What is the SMILES notation for 5-prop-2-ynoxy-2H-pyrano[3,2-c]quinoline?
The canonical SMILES for 5-prop-2-ynoxy-2H-pyrano[3,2-c]quinoline is C#CCOc1nc2ccccc2c2c1C=CCO2.
What is the InChIKey of 5-prop-2-ynoxy-2H-pyrano[3,2-c]quinoline?
The InChIKey is VBYXQPXTABVNBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO2/c1-2-9-18-15-12-7-5-10-17-14(12)11-6-3-4-8-13(11)16-15/h1,3-8H,9-10H2.
What are the key properties of 5-prop-2-ynoxy-2H-pyrano[3,2-c]quinoline?
5-prop-2-ynoxy-2H-pyrano[3,2-c]quinoline has a molecular weight of 237.26 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-prop-2-ynoxy-2H-pyrano[3,2-c]quinoline is sourced from PubChem (CID 10444162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).