3-hydroxy-2-quinolin-4-ylinden-1-one

C18H11NO2 — CID 3135549

IUPAC3-hydroxy-2-quinolin-4-ylinden-1-one
SMILESO=C1C(c2ccnc3ccccc23)=C(O)c2ccccc21
InChIInChI=1S/C18H11NO2/c20-17-13-6-1-2-7-14(13)18(21)16(17)12-9-10-19-15-8-4-3-5-11(12)15/h1-10,20H
InChIKeyOTBKGFWRIQFFOD-UHFFFAOYSA-N
MW273.29 g/mol
LogP3.86
Rot. Bonds1

About 3-hydroxy-2-quinolin-4-ylinden-1-one

3-hydroxy-2-quinolin-4-ylinden-1-one (PubChem CID 3135549) has the molecular formula C18H11NO2 and a molecular weight of 273.29 g/mol. Its IUPAC name is 3-hydroxy-2-quinolin-4-ylinden-1-one.

Molecular Properties

Compound Name3-hydroxy-2-quinolin-4-ylinden-1-one
PubChem CID3135549
Molecular FormulaC18H11NO2
Molecular Weight273.29 g/mol
Exact Mass273.08
IUPAC Name3-hydroxy-2-quinolin-4-ylinden-1-one
SMILESO=C1C(c2ccnc3ccccc23)=C(O)c2ccccc21
InChIInChI=1S/C18H11NO2/c20-17-13-6-1-2-7-14(13)18(21)16(17)12-9-10-19-15-8-4-3-5-11(12)15/h1-10,20H
InChIKeyOTBKGFWRIQFFOD-UHFFFAOYSA-N
XLogP3.86
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_C(7)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-quinolin-4-ylinden-1-one?
The IUPAC name of 3-hydroxy-2-quinolin-4-ylinden-1-one (CID 3135549) is 3-hydroxy-2-quinolin-4-ylinden-1-one.
What is the SMILES notation for 3-hydroxy-2-quinolin-4-ylinden-1-one?
The canonical SMILES for 3-hydroxy-2-quinolin-4-ylinden-1-one is O=C1C(c2ccnc3ccccc23)=C(O)c2ccccc21.
What is the InChIKey of 3-hydroxy-2-quinolin-4-ylinden-1-one?
The InChIKey is OTBKGFWRIQFFOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11NO2/c20-17-13-6-1-2-7-14(13)18(21)16(17)12-9-10-19-15-8-4-3-5-11(12)15/h1-10,20H.
What are the key properties of 3-hydroxy-2-quinolin-4-ylinden-1-one?
3-hydroxy-2-quinolin-4-ylinden-1-one has a molecular weight of 273.29 g/mol, XLogP of 3.86, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-quinolin-4-ylinden-1-one is sourced from PubChem (CID 3135549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).