4-prop-2-ynoxy-1H-quinolin-2-one

C12H9NO2 — CID 46886224

IUPAC4-prop-2-ynoxy-1H-quinolin-2-one
SMILESC#CCOc1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C12H9NO2/c1-2-7-15-11-8-12(14)13-10-6-4-3-5-9(10)11/h1,3-6,8H,7H2,(H,13,14)
InChIKeyPLHHVQGUDYWXQT-UHFFFAOYSA-N
MW199.21 g/mol
LogP1.54
Rot. Bonds2

About 4-prop-2-ynoxy-1H-quinolin-2-one

4-prop-2-ynoxy-1H-quinolin-2-one (PubChem CID 46886224) has the molecular formula C12H9NO2 and a molecular weight of 199.21 g/mol. Its IUPAC name is 4-prop-2-ynoxy-1H-quinolin-2-one.

Molecular Properties

Compound Name4-prop-2-ynoxy-1H-quinolin-2-one
PubChem CID46886224
Molecular FormulaC12H9NO2
Molecular Weight199.21 g/mol
Exact Mass199.06
IUPAC Name4-prop-2-ynoxy-1H-quinolin-2-one
SMILESC#CCOc1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C12H9NO2/c1-2-7-15-11-8-12(14)13-10-6-4-3-5-9(10)11/h1,3-6,8H,7H2,(H,13,14)
InChIKeyPLHHVQGUDYWXQT-UHFFFAOYSA-N
XLogP1.54
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 51.54
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 4-prop-2-ynoxy-1H-quinolin-2-one?
The IUPAC name of 4-prop-2-ynoxy-1H-quinolin-2-one (CID 46886224) is 4-prop-2-ynoxy-1H-quinolin-2-one.
What is the SMILES notation for 4-prop-2-ynoxy-1H-quinolin-2-one?
The canonical SMILES for 4-prop-2-ynoxy-1H-quinolin-2-one is C#CCOc1cc(=O)[nH]c2ccccc12.
What is the InChIKey of 4-prop-2-ynoxy-1H-quinolin-2-one?
The InChIKey is PLHHVQGUDYWXQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO2/c1-2-7-15-11-8-12(14)13-10-6-4-3-5-9(10)11/h1,3-6,8H,7H2,(H,13,14).
What are the key properties of 4-prop-2-ynoxy-1H-quinolin-2-one?
4-prop-2-ynoxy-1H-quinolin-2-one has a molecular weight of 199.21 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-2-ynoxy-1H-quinolin-2-one is sourced from PubChem (CID 46886224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).