N-[(5-chloro-8-hydroxyquinolin-7-yl)-(4-methoxyphenyl)methyl]-3-methoxybenzamide

C25H21ClN2O4 — CID 2897232

IUPACN-[(5-chloro-8-hydroxyquinolin-7-yl)-(4-methoxyphenyl)methyl]-3-methoxybenzamide
SMILESCOc1ccc(C(NC(=O)c2cccc(OC)c2)c2cc(Cl)c3cccnc3c2O)cc1
InChIInChI=1S/C25H21ClN2O4/c1-31-17-10-8-15(9-11-17)22(28-25(30)16-5-3-6-18(13-16)32-2)20-14-21(26)19-7-4-12-27-23(19)24(20)29/h3-14,22,29H,1-2H3,(H,28,30)
InChIKeyMZGLFQDAHATKPL-UHFFFAOYSA-N
MW448.91 g/mol
LogP5.13
Rot. Bonds6

About N-[(5-chloro-8-hydroxyquinolin-7-yl)-(4-methoxyphenyl)methyl]-3-methoxybenzamide

N-[(5-chloro-8-hydroxyquinolin-7-yl)-(4-methoxyphenyl)methyl]-3-methoxybenzamide (PubChem CID 2897232) has the molecular formula C25H21ClN2O4 and a molecular weight of 448.91 g/mol. Its IUPAC name is N-[(5-chloro-8-hydroxyquinolin-7-yl)-(4-methoxyphenyl)methyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[(5-chloro-8-hydroxyquinolin-7-yl)-(4-methoxyphenyl)methyl]-3-methoxybenzamide
PubChem CID2897232
Molecular FormulaC25H21ClN2O4
Molecular Weight448.91 g/mol
Exact Mass448.12
IUPAC NameN-[(5-chloro-8-hydroxyquinolin-7-yl)-(4-methoxyphenyl)methyl]-3-methoxybenzamide
SMILESCOc1ccc(C(NC(=O)c2cccc(OC)c2)c2cc(Cl)c3cccnc3c2O)cc1
InChIInChI=1S/C25H21ClN2O4/c1-31-17-10-8-15(9-11-17)22(28-25(30)16-5-3-6-18(13-16)32-2)20-14-21(26)19-7-4-12-27-23(19)24(20)29/h3-14,22,29H,1-2H3,(H,28,30)
InChIKeyMZGLFQDAHATKPL-UHFFFAOYSA-N
XLogP5.13
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.91
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[(5-chloro-8-hydroxyquinolin-7-yl)-(4-methoxyphenyl)methyl]-3-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-methoxyphenyl)methyl]-3-methoxybenzamide?
The IUPAC name of N-[(5-chloro-8-hydroxyquinolin-7-yl)-(4-methoxyphenyl)methyl]-3-methoxybenzamide (CID 2897232) is N-[(5-chloro-8-hydroxyquinolin-7-yl)-(4-methoxyphenyl)methyl]-3-methoxybenzamide.
What is the SMILES notation for N-[(5-chloro-8-hydroxyquinolin-7-yl)-(4-methoxyphenyl)methyl]-3-methoxybenzamide?
The canonical SMILES for N-[(5-chloro-8-hydroxyquinolin-7-yl)-(4-methoxyphenyl)methyl]-3-methoxybenzamide is COc1ccc(C(NC(=O)c2cccc(OC)c2)c2cc(Cl)c3cccnc3c2O)cc1.
What is the InChIKey of N-[(5-chloro-8-hydroxyquinolin-7-yl)-(4-methoxyphenyl)methyl]-3-methoxybenzamide?
The InChIKey is MZGLFQDAHATKPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClN2O4/c1-31-17-10-8-15(9-11-17)22(28-25(30)16-5-3-6-18(13-16)32-2)20-14-21(26)19-7-4-12-27-23(19)24(20)29/h3-14,22,29H,1-2H3,(H,28,30).
What are the key properties of N-[(5-chloro-8-hydroxyquinolin-7-yl)-(4-methoxyphenyl)methyl]-3-methoxybenzamide?
N-[(5-chloro-8-hydroxyquinolin-7-yl)-(4-methoxyphenyl)methyl]-3-methoxybenzamide has a molecular weight of 448.91 g/mol, XLogP of 5.13, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-8-hydroxyquinolin-7-yl)-(4-methoxyphenyl)methyl]-3-methoxybenzamide is sourced from PubChem (CID 2897232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).