2-prop-2-ynylquinolin-8-ol

C12H9NO — CID 87394450

IUPAC2-prop-2-ynylquinolin-8-ol
SMILESC#CCc1ccc2cccc(O)c2n1
InChIInChI=1S/C12H9NO/c1-2-4-10-8-7-9-5-3-6-11(14)12(9)13-10/h1,3,5-8,14H,4H2
InChIKeySFJCEWAGOIATDW-UHFFFAOYSA-N
MW183.21 g/mol
LogP2.12
Rot. Bonds1

About 2-prop-2-ynylquinolin-8-ol

2-prop-2-ynylquinolin-8-ol (PubChem CID 87394450) has the molecular formula C12H9NO and a molecular weight of 183.21 g/mol. Its IUPAC name is 2-prop-2-ynylquinolin-8-ol.

Molecular Properties

Compound Name2-prop-2-ynylquinolin-8-ol
PubChem CID87394450
Molecular FormulaC12H9NO
Molecular Weight183.21 g/mol
Exact Mass183.07
IUPAC Name2-prop-2-ynylquinolin-8-ol
SMILESC#CCc1ccc2cccc(O)c2n1
InChIInChI=1S/C12H9NO/c1-2-4-10-8-7-9-5-3-6-11(14)12(9)13-10/h1,3,5-8,14H,4H2
InChIKeySFJCEWAGOIATDW-UHFFFAOYSA-N
XLogP2.12
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 2-prop-2-ynylquinolin-8-ol?
The IUPAC name of 2-prop-2-ynylquinolin-8-ol (CID 87394450) is 2-prop-2-ynylquinolin-8-ol.
What is the SMILES notation for 2-prop-2-ynylquinolin-8-ol?
The canonical SMILES for 2-prop-2-ynylquinolin-8-ol is C#CCc1ccc2cccc(O)c2n1.
What is the InChIKey of 2-prop-2-ynylquinolin-8-ol?
The InChIKey is SFJCEWAGOIATDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO/c1-2-4-10-8-7-9-5-3-6-11(14)12(9)13-10/h1,3,5-8,14H,4H2.
What are the key properties of 2-prop-2-ynylquinolin-8-ol?
2-prop-2-ynylquinolin-8-ol has a molecular weight of 183.21 g/mol, XLogP of 2.12, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-ynylquinolin-8-ol is sourced from PubChem (CID 87394450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).