N-[(8-hydroxyquinolin-7-yl)-phenylmethyl]benzamide

C23H18N2O2 — CID 2871881

IUPACN-[(8-hydroxyquinolin-7-yl)-phenylmethyl]benzamide
SMILESO=C(NC(c1ccccc1)c1ccc2cccnc2c1O)c1ccccc1
InChIInChI=1S/C23H18N2O2/c26-22-19(14-13-17-12-7-15-24-21(17)22)20(16-8-3-1-4-9-16)25-23(27)18-10-5-2-6-11-18/h1-15,20,26H,(H,25,27)
InChIKeyNVJBCIZHIKOYDF-UHFFFAOYSA-N
MW354.41 g/mol
LogP4.46
Rot. Bonds4

About N-[(8-hydroxyquinolin-7-yl)-phenylmethyl]benzamide

N-[(8-hydroxyquinolin-7-yl)-phenylmethyl]benzamide (PubChem CID 2871881) has the molecular formula C23H18N2O2 and a molecular weight of 354.41 g/mol. Its IUPAC name is N-[(8-hydroxyquinolin-7-yl)-phenylmethyl]benzamide.

Molecular Properties

Compound NameN-[(8-hydroxyquinolin-7-yl)-phenylmethyl]benzamide
PubChem CID2871881
Molecular FormulaC23H18N2O2
Molecular Weight354.41 g/mol
Exact Mass354.14
IUPAC NameN-[(8-hydroxyquinolin-7-yl)-phenylmethyl]benzamide
SMILESO=C(NC(c1ccccc1)c1ccc2cccnc2c1O)c1ccccc1
InChIInChI=1S/C23H18N2O2/c26-22-19(14-13-17-12-7-15-24-21(17)22)20(16-8-3-1-4-9-16)25-23(27)18-10-5-2-6-11-18/h1-15,20,26H,(H,25,27)
InChIKeyNVJBCIZHIKOYDF-UHFFFAOYSA-N
XLogP4.46
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(8-hydroxyquinolin-7-yl)-phenylmethyl]benzamide?
The IUPAC name of N-[(8-hydroxyquinolin-7-yl)-phenylmethyl]benzamide (CID 2871881) is N-[(8-hydroxyquinolin-7-yl)-phenylmethyl]benzamide.
What is the SMILES notation for N-[(8-hydroxyquinolin-7-yl)-phenylmethyl]benzamide?
The canonical SMILES for N-[(8-hydroxyquinolin-7-yl)-phenylmethyl]benzamide is O=C(NC(c1ccccc1)c1ccc2cccnc2c1O)c1ccccc1.
What is the InChIKey of N-[(8-hydroxyquinolin-7-yl)-phenylmethyl]benzamide?
The InChIKey is NVJBCIZHIKOYDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O2/c26-22-19(14-13-17-12-7-15-24-21(17)22)20(16-8-3-1-4-9-16)25-23(27)18-10-5-2-6-11-18/h1-15,20,26H,(H,25,27).
What are the key properties of N-[(8-hydroxyquinolin-7-yl)-phenylmethyl]benzamide?
N-[(8-hydroxyquinolin-7-yl)-phenylmethyl]benzamide has a molecular weight of 354.41 g/mol, XLogP of 4.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(8-hydroxyquinolin-7-yl)-phenylmethyl]benzamide is sourced from PubChem (CID 2871881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).