N-[(5-chloro-8-hydroxyquinolin-7-yl)-(4-chlorophenyl)methyl]-4-methoxybenzamide

C24H18Cl2N2O3 — CID 2896405

IUPACN-[(5-chloro-8-hydroxyquinolin-7-yl)-(4-chlorophenyl)methyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC(c2ccc(Cl)cc2)c2cc(Cl)c3cccnc3c2O)cc1
InChIInChI=1S/C24H18Cl2N2O3/c1-31-17-10-6-15(7-11-17)24(30)28-21(14-4-8-16(25)9-5-14)19-13-20(26)18-3-2-12-27-22(18)23(19)29/h2-13,21,29H,1H3,(H,28,30)
InChIKeyBEKCSNIMRKXEFV-UHFFFAOYSA-N
MW453.33 g/mol
LogP5.78
Rot. Bonds5

About N-[(5-chloro-8-hydroxyquinolin-7-yl)-(4-chlorophenyl)methyl]-4-methoxybenzamide

N-[(5-chloro-8-hydroxyquinolin-7-yl)-(4-chlorophenyl)methyl]-4-methoxybenzamide (PubChem CID 2896405) has the molecular formula C24H18Cl2N2O3 and a molecular weight of 453.33 g/mol. Its IUPAC name is N-[(5-chloro-8-hydroxyquinolin-7-yl)-(4-chlorophenyl)methyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[(5-chloro-8-hydroxyquinolin-7-yl)-(4-chlorophenyl)methyl]-4-methoxybenzamide
PubChem CID2896405
Molecular FormulaC24H18Cl2N2O3
Molecular Weight453.33 g/mol
Exact Mass452.07
IUPAC NameN-[(5-chloro-8-hydroxyquinolin-7-yl)-(4-chlorophenyl)methyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC(c2ccc(Cl)cc2)c2cc(Cl)c3cccnc3c2O)cc1
InChIInChI=1S/C24H18Cl2N2O3/c1-31-17-10-6-15(7-11-17)24(30)28-21(14-4-8-16(25)9-5-14)19-13-20(26)18-3-2-12-27-22(18)23(19)29/h2-13,21,29H,1H3,(H,28,30)
InChIKeyBEKCSNIMRKXEFV-UHFFFAOYSA-N
XLogP5.78
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.33
LogP ≤ 55.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(5-chloro-8-hydroxyquinolin-7-yl)-(4-chlorophenyl)methyl]-4-methoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-8-hydroxyquinolin-7-yl)-(4-chlorophenyl)methyl]-4-methoxybenzamide?
The IUPAC name of N-[(5-chloro-8-hydroxyquinolin-7-yl)-(4-chlorophenyl)methyl]-4-methoxybenzamide (CID 2896405) is N-[(5-chloro-8-hydroxyquinolin-7-yl)-(4-chlorophenyl)methyl]-4-methoxybenzamide.
What is the SMILES notation for N-[(5-chloro-8-hydroxyquinolin-7-yl)-(4-chlorophenyl)methyl]-4-methoxybenzamide?
The canonical SMILES for N-[(5-chloro-8-hydroxyquinolin-7-yl)-(4-chlorophenyl)methyl]-4-methoxybenzamide is COc1ccc(C(=O)NC(c2ccc(Cl)cc2)c2cc(Cl)c3cccnc3c2O)cc1.
What is the InChIKey of N-[(5-chloro-8-hydroxyquinolin-7-yl)-(4-chlorophenyl)methyl]-4-methoxybenzamide?
The InChIKey is BEKCSNIMRKXEFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18Cl2N2O3/c1-31-17-10-6-15(7-11-17)24(30)28-21(14-4-8-16(25)9-5-14)19-13-20(26)18-3-2-12-27-22(18)23(19)29/h2-13,21,29H,1H3,(H,28,30).
What are the key properties of N-[(5-chloro-8-hydroxyquinolin-7-yl)-(4-chlorophenyl)methyl]-4-methoxybenzamide?
N-[(5-chloro-8-hydroxyquinolin-7-yl)-(4-chlorophenyl)methyl]-4-methoxybenzamide has a molecular weight of 453.33 g/mol, XLogP of 5.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-8-hydroxyquinolin-7-yl)-(4-chlorophenyl)methyl]-4-methoxybenzamide is sourced from PubChem (CID 2896405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).