[2-(5-oxo-7,8-dihydro-6H-quinolin-2-yl)-5-phenylphenyl] acetate

C23H19NO3 — CID 135057485

IUPAC[2-(5-oxo-7,8-dihydro-6H-quinolin-2-yl)-5-phenylphenyl] acetate
SMILESCC(=O)Oc1cc(-c2ccccc2)ccc1-c1ccc2c(n1)CCCC2=O
InChIInChI=1S/C23H19NO3/c1-15(25)27-23-14-17(16-6-3-2-4-7-16)10-11-19(23)21-13-12-18-20(24-21)8-5-9-22(18)26/h2-4,6-7,10-14H,5,8-9H2,1H3
InChIKeyXZQCTUQLCAFMSN-UHFFFAOYSA-N
MW357.41 g/mol
LogP4.86
Rot. Bonds3

About [2-(5-oxo-7,8-dihydro-6H-quinolin-2-yl)-5-phenylphenyl] acetate

[2-(5-oxo-7,8-dihydro-6H-quinolin-2-yl)-5-phenylphenyl] acetate (PubChem CID 135057485) has the molecular formula C23H19NO3 and a molecular weight of 357.41 g/mol. Its IUPAC name is [2-(5-oxo-7,8-dihydro-6H-quinolin-2-yl)-5-phenylphenyl] acetate.

Molecular Properties

Compound Name[2-(5-oxo-7,8-dihydro-6H-quinolin-2-yl)-5-phenylphenyl] acetate
PubChem CID135057485
Molecular FormulaC23H19NO3
Molecular Weight357.41 g/mol
Exact Mass357.14
IUPAC Name[2-(5-oxo-7,8-dihydro-6H-quinolin-2-yl)-5-phenylphenyl] acetate
SMILESCC(=O)Oc1cc(-c2ccccc2)ccc1-c1ccc2c(n1)CCCC2=O
InChIInChI=1S/C23H19NO3/c1-15(25)27-23-14-17(16-6-3-2-4-7-16)10-11-19(23)21-13-12-18-20(24-21)8-5-9-22(18)26/h2-4,6-7,10-14H,5,8-9H2,1H3
InChIKeyXZQCTUQLCAFMSN-UHFFFAOYSA-N
XLogP4.86
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(5-oxo-7,8-dihydro-6H-quinolin-2-yl)-5-phenylphenyl] acetate?
The IUPAC name of [2-(5-oxo-7,8-dihydro-6H-quinolin-2-yl)-5-phenylphenyl] acetate (CID 135057485) is [2-(5-oxo-7,8-dihydro-6H-quinolin-2-yl)-5-phenylphenyl] acetate.
What is the SMILES notation for [2-(5-oxo-7,8-dihydro-6H-quinolin-2-yl)-5-phenylphenyl] acetate?
The canonical SMILES for [2-(5-oxo-7,8-dihydro-6H-quinolin-2-yl)-5-phenylphenyl] acetate is CC(=O)Oc1cc(-c2ccccc2)ccc1-c1ccc2c(n1)CCCC2=O.
What is the InChIKey of [2-(5-oxo-7,8-dihydro-6H-quinolin-2-yl)-5-phenylphenyl] acetate?
The InChIKey is XZQCTUQLCAFMSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO3/c1-15(25)27-23-14-17(16-6-3-2-4-7-16)10-11-19(23)21-13-12-18-20(24-21)8-5-9-22(18)26/h2-4,6-7,10-14H,5,8-9H2,1H3.
What are the key properties of [2-(5-oxo-7,8-dihydro-6H-quinolin-2-yl)-5-phenylphenyl] acetate?
[2-(5-oxo-7,8-dihydro-6H-quinolin-2-yl)-5-phenylphenyl] acetate has a molecular weight of 357.41 g/mol, XLogP of 4.86, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-oxo-7,8-dihydro-6H-quinolin-2-yl)-5-phenylphenyl] acetate is sourced from PubChem (CID 135057485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).