N-[(8-hydroxyquinolin-7-yl)-(4-methylphenyl)methyl]benzamide

C24H20N2O2 — CID 2871966

IUPACN-[(8-hydroxyquinolin-7-yl)-(4-methylphenyl)methyl]benzamide
SMILESCc1ccc(C(NC(=O)c2ccccc2)c2ccc3cccnc3c2O)cc1
InChIInChI=1S/C24H20N2O2/c1-16-9-11-18(12-10-16)21(26-24(28)19-6-3-2-4-7-19)20-14-13-17-8-5-15-25-22(17)23(20)27/h2-15,21,27H,1H3,(H,26,28)
InChIKeyKISDJXZVLXBGQQ-UHFFFAOYSA-N
MW368.44 g/mol
LogP4.77
Rot. Bonds4

About N-[(8-hydroxyquinolin-7-yl)-(4-methylphenyl)methyl]benzamide

N-[(8-hydroxyquinolin-7-yl)-(4-methylphenyl)methyl]benzamide (PubChem CID 2871966) has the molecular formula C24H20N2O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is N-[(8-hydroxyquinolin-7-yl)-(4-methylphenyl)methyl]benzamide.

Molecular Properties

Compound NameN-[(8-hydroxyquinolin-7-yl)-(4-methylphenyl)methyl]benzamide
PubChem CID2871966
Molecular FormulaC24H20N2O2
Molecular Weight368.44 g/mol
Exact Mass368.15
IUPAC NameN-[(8-hydroxyquinolin-7-yl)-(4-methylphenyl)methyl]benzamide
SMILESCc1ccc(C(NC(=O)c2ccccc2)c2ccc3cccnc3c2O)cc1
InChIInChI=1S/C24H20N2O2/c1-16-9-11-18(12-10-16)21(26-24(28)19-6-3-2-4-7-19)20-14-13-17-8-5-15-25-22(17)23(20)27/h2-15,21,27H,1H3,(H,26,28)
InChIKeyKISDJXZVLXBGQQ-UHFFFAOYSA-N
XLogP4.77
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 54.77
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)-(4-methylphenyl)methyl]benzamide?
The IUPAC name of N-[(8-hydroxyquinolin-7-yl)-(4-methylphenyl)methyl]benzamide (CID 2871966) is N-[(8-hydroxyquinolin-7-yl)-(4-methylphenyl)methyl]benzamide.
What is the SMILES notation for N-[(8-hydroxyquinolin-7-yl)-(4-methylphenyl)methyl]benzamide?
The canonical SMILES for N-[(8-hydroxyquinolin-7-yl)-(4-methylphenyl)methyl]benzamide is Cc1ccc(C(NC(=O)c2ccccc2)c2ccc3cccnc3c2O)cc1.
What is the InChIKey of N-[(8-hydroxyquinolin-7-yl)-(4-methylphenyl)methyl]benzamide?
The InChIKey is KISDJXZVLXBGQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O2/c1-16-9-11-18(12-10-16)21(26-24(28)19-6-3-2-4-7-19)20-14-13-17-8-5-15-25-22(17)23(20)27/h2-15,21,27H,1H3,(H,26,28).
What are the key properties of N-[(8-hydroxyquinolin-7-yl)-(4-methylphenyl)methyl]benzamide?
N-[(8-hydroxyquinolin-7-yl)-(4-methylphenyl)methyl]benzamide has a molecular weight of 368.44 g/mol, XLogP of 4.77, 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)-(4-methylphenyl)methyl]benzamide is sourced from PubChem (CID 2871966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).