N-(8-hydroxyquinolin-5-yl)-4-phenylbenzamide

C22H16N2O2 — CID 10132041

IUPACN-(8-hydroxyquinolin-5-yl)-4-phenylbenzamide
SMILESO=C(Nc1ccc(O)c2ncccc12)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H16N2O2/c25-20-13-12-19(18-7-4-14-23-21(18)20)24-22(26)17-10-8-16(9-11-17)15-5-2-1-3-6-15/h1-14,25H,(H,24,26)
InChIKeyVXXMIIRXHFSBAR-UHFFFAOYSA-N
MW340.38 g/mol
LogP4.86
Rot. Bonds3

About N-(8-hydroxyquinolin-5-yl)-4-phenylbenzamide

N-(8-hydroxyquinolin-5-yl)-4-phenylbenzamide (PubChem CID 10132041) has the molecular formula C22H16N2O2 and a molecular weight of 340.38 g/mol. Its IUPAC name is N-(8-hydroxyquinolin-5-yl)-4-phenylbenzamide.

Molecular Properties

Compound NameN-(8-hydroxyquinolin-5-yl)-4-phenylbenzamide
PubChem CID10132041
Molecular FormulaC22H16N2O2
Molecular Weight340.38 g/mol
Exact Mass340.12
IUPAC NameN-(8-hydroxyquinolin-5-yl)-4-phenylbenzamide
SMILESO=C(Nc1ccc(O)c2ncccc12)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H16N2O2/c25-20-13-12-19(18-7-4-14-23-21(18)20)24-22(26)17-10-8-16(9-11-17)15-5-2-1-3-6-15/h1-14,25H,(H,24,26)
InChIKeyVXXMIIRXHFSBAR-UHFFFAOYSA-N
XLogP4.86
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(8-hydroxyquinolin-5-yl)-4-phenylbenzamide?
The IUPAC name of N-(8-hydroxyquinolin-5-yl)-4-phenylbenzamide (CID 10132041) is N-(8-hydroxyquinolin-5-yl)-4-phenylbenzamide.
What is the SMILES notation for N-(8-hydroxyquinolin-5-yl)-4-phenylbenzamide?
The canonical SMILES for N-(8-hydroxyquinolin-5-yl)-4-phenylbenzamide is O=C(Nc1ccc(O)c2ncccc12)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-(8-hydroxyquinolin-5-yl)-4-phenylbenzamide?
The InChIKey is VXXMIIRXHFSBAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O2/c25-20-13-12-19(18-7-4-14-23-21(18)20)24-22(26)17-10-8-16(9-11-17)15-5-2-1-3-6-15/h1-14,25H,(H,24,26).
What are the key properties of N-(8-hydroxyquinolin-5-yl)-4-phenylbenzamide?
N-(8-hydroxyquinolin-5-yl)-4-phenylbenzamide has a molecular weight of 340.38 g/mol, XLogP of 4.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-hydroxyquinolin-5-yl)-4-phenylbenzamide is sourced from PubChem (CID 10132041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).