[4-(4-cyanophenyl)phenyl] 2-(4-oxoquinolin-1-yl)acetate

C24H16N2O3 — CID 60585714

IUPAC[4-(4-cyanophenyl)phenyl] 2-(4-oxoquinolin-1-yl)acetate
SMILESN#Cc1ccc(-c2ccc(OC(=O)Cn3ccc(=O)c4ccccc43)cc2)cc1
InChIInChI=1S/C24H16N2O3/c25-15-17-5-7-18(8-6-17)19-9-11-20(12-10-19)29-24(28)16-26-14-13-23(27)21-3-1-2-4-22(21)26/h1-14H,16H2
InChIKeyQWLVOEUDEFKEDZ-UHFFFAOYSA-N
MW380.40 g/mol
LogP4.15
Rot. Bonds4

About [4-(4-cyanophenyl)phenyl] 2-(4-oxoquinolin-1-yl)acetate

[4-(4-cyanophenyl)phenyl] 2-(4-oxoquinolin-1-yl)acetate (PubChem CID 60585714) has the molecular formula C24H16N2O3 and a molecular weight of 380.40 g/mol. Its IUPAC name is [4-(4-cyanophenyl)phenyl] 2-(4-oxoquinolin-1-yl)acetate.

Molecular Properties

Compound Name[4-(4-cyanophenyl)phenyl] 2-(4-oxoquinolin-1-yl)acetate
PubChem CID60585714
Molecular FormulaC24H16N2O3
Molecular Weight380.40 g/mol
Exact Mass380.12
IUPAC Name[4-(4-cyanophenyl)phenyl] 2-(4-oxoquinolin-1-yl)acetate
SMILESN#Cc1ccc(-c2ccc(OC(=O)Cn3ccc(=O)c4ccccc43)cc2)cc1
InChIInChI=1S/C24H16N2O3/c25-15-17-5-7-18(8-6-17)19-9-11-20(12-10-19)29-24(28)16-26-14-13-23(27)21-3-1-2-4-22(21)26/h1-14H,16H2
InChIKeyQWLVOEUDEFKEDZ-UHFFFAOYSA-N
XLogP4.15
TPSA72.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 [4-(4-cyanophenyl)phenyl] 2-(4-oxoquinolin-1-yl)acetate?
The IUPAC name of [4-(4-cyanophenyl)phenyl] 2-(4-oxoquinolin-1-yl)acetate (CID 60585714) is [4-(4-cyanophenyl)phenyl] 2-(4-oxoquinolin-1-yl)acetate.
What is the SMILES notation for [4-(4-cyanophenyl)phenyl] 2-(4-oxoquinolin-1-yl)acetate?
The canonical SMILES for [4-(4-cyanophenyl)phenyl] 2-(4-oxoquinolin-1-yl)acetate is N#Cc1ccc(-c2ccc(OC(=O)Cn3ccc(=O)c4ccccc43)cc2)cc1.
What is the InChIKey of [4-(4-cyanophenyl)phenyl] 2-(4-oxoquinolin-1-yl)acetate?
The InChIKey is QWLVOEUDEFKEDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16N2O3/c25-15-17-5-7-18(8-6-17)19-9-11-20(12-10-19)29-24(28)16-26-14-13-23(27)21-3-1-2-4-22(21)26/h1-14H,16H2.
What are the key properties of [4-(4-cyanophenyl)phenyl] 2-(4-oxoquinolin-1-yl)acetate?
[4-(4-cyanophenyl)phenyl] 2-(4-oxoquinolin-1-yl)acetate has a molecular weight of 380.40 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-cyanophenyl)phenyl] 2-(4-oxoquinolin-1-yl)acetate is sourced from PubChem (CID 60585714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).