5-hydroxy-8-prop-2-ynoxy-3,4-dihydro-1H-quinolin-2-one

C12H11NO3 — CID 12751740

IUPAC5-hydroxy-8-prop-2-ynoxy-3,4-dihydro-1H-quinolin-2-one
SMILESC#CCOc1ccc(O)c2c1NC(=O)CC2
InChIInChI=1S/C12H11NO3/c1-2-7-16-10-5-4-9(14)8-3-6-11(15)13-12(8)10/h1,4-5,14H,3,6-7H2,(H,13,15)
InChIKeyJUDPUVVHQWZKNL-UHFFFAOYSA-N
MW217.22 g/mol
LogP1.29
Rot. Bonds2

About 5-hydroxy-8-prop-2-ynoxy-3,4-dihydro-1H-quinolin-2-one

5-hydroxy-8-prop-2-ynoxy-3,4-dihydro-1H-quinolin-2-one (PubChem CID 12751740) has the molecular formula C12H11NO3 and a molecular weight of 217.22 g/mol. Its IUPAC name is 5-hydroxy-8-prop-2-ynoxy-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name5-hydroxy-8-prop-2-ynoxy-3,4-dihydro-1H-quinolin-2-one
PubChem CID12751740
Molecular FormulaC12H11NO3
Molecular Weight217.22 g/mol
Exact Mass217.07
IUPAC Name5-hydroxy-8-prop-2-ynoxy-3,4-dihydro-1H-quinolin-2-one
SMILESC#CCOc1ccc(O)c2c1NC(=O)CC2
InChIInChI=1S/C12H11NO3/c1-2-7-16-10-5-4-9(14)8-3-6-11(15)13-12(8)10/h1,4-5,14H,3,6-7H2,(H,13,15)
InChIKeyJUDPUVVHQWZKNL-UHFFFAOYSA-N
XLogP1.29
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 51.29
H-Bond Donors ≤ 52
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-hydroxy-8-prop-2-ynoxy-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 5-hydroxy-8-prop-2-ynoxy-3,4-dihydro-1H-quinolin-2-one (CID 12751740) is 5-hydroxy-8-prop-2-ynoxy-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 5-hydroxy-8-prop-2-ynoxy-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 5-hydroxy-8-prop-2-ynoxy-3,4-dihydro-1H-quinolin-2-one is C#CCOc1ccc(O)c2c1NC(=O)CC2.
What is the InChIKey of 5-hydroxy-8-prop-2-ynoxy-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is JUDPUVVHQWZKNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3/c1-2-7-16-10-5-4-9(14)8-3-6-11(15)13-12(8)10/h1,4-5,14H,3,6-7H2,(H,13,15).
What are the key properties of 5-hydroxy-8-prop-2-ynoxy-3,4-dihydro-1H-quinolin-2-one?
5-hydroxy-8-prop-2-ynoxy-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 217.22 g/mol, XLogP of 1.29, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-8-prop-2-ynoxy-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 12751740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).