N-[(5-chloro-8-hydroxyquinolin-7-yl)-(4-methylphenyl)methyl]-2-phenoxyacetamide

C25H21ClN2O3 — CID 2897263

IUPACN-[(5-chloro-8-hydroxyquinolin-7-yl)-(4-methylphenyl)methyl]-2-phenoxyacetamide
SMILESCc1ccc(C(NC(=O)COc2ccccc2)c2cc(Cl)c3cccnc3c2O)cc1
InChIInChI=1S/C25H21ClN2O3/c1-16-9-11-17(12-10-16)23(28-22(29)15-31-18-6-3-2-4-7-18)20-14-21(26)19-8-5-13-27-24(19)25(20)30/h2-14,23,30H,15H2,1H3,(H,28,29)
InChIKeyOQNQXFLPBUDTCY-UHFFFAOYSA-N
MW432.91 g/mol
LogP5.19
Rot. Bonds6

About N-[(5-chloro-8-hydroxyquinolin-7-yl)-(4-methylphenyl)methyl]-2-phenoxyacetamide

N-[(5-chloro-8-hydroxyquinolin-7-yl)-(4-methylphenyl)methyl]-2-phenoxyacetamide (PubChem CID 2897263) has the molecular formula C25H21ClN2O3 and a molecular weight of 432.91 g/mol. Its IUPAC name is N-[(5-chloro-8-hydroxyquinolin-7-yl)-(4-methylphenyl)methyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[(5-chloro-8-hydroxyquinolin-7-yl)-(4-methylphenyl)methyl]-2-phenoxyacetamide
PubChem CID2897263
Molecular FormulaC25H21ClN2O3
Molecular Weight432.91 g/mol
Exact Mass432.12
IUPAC NameN-[(5-chloro-8-hydroxyquinolin-7-yl)-(4-methylphenyl)methyl]-2-phenoxyacetamide
SMILESCc1ccc(C(NC(=O)COc2ccccc2)c2cc(Cl)c3cccnc3c2O)cc1
InChIInChI=1S/C25H21ClN2O3/c1-16-9-11-17(12-10-16)23(28-22(29)15-31-18-6-3-2-4-7-18)20-14-21(26)19-8-5-13-27-24(19)25(20)30/h2-14,23,30H,15H2,1H3,(H,28,29)
InChIKeyOQNQXFLPBUDTCY-UHFFFAOYSA-N
XLogP5.19
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.91
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[(5-chloro-8-hydroxyquinolin-7-yl)-(4-methylphenyl)methyl]-2-phenoxyacetamide?
The IUPAC name of N-[(5-chloro-8-hydroxyquinolin-7-yl)-(4-methylphenyl)methyl]-2-phenoxyacetamide (CID 2897263) is N-[(5-chloro-8-hydroxyquinolin-7-yl)-(4-methylphenyl)methyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[(5-chloro-8-hydroxyquinolin-7-yl)-(4-methylphenyl)methyl]-2-phenoxyacetamide?
The canonical SMILES for N-[(5-chloro-8-hydroxyquinolin-7-yl)-(4-methylphenyl)methyl]-2-phenoxyacetamide is Cc1ccc(C(NC(=O)COc2ccccc2)c2cc(Cl)c3cccnc3c2O)cc1.
What is the InChIKey of N-[(5-chloro-8-hydroxyquinolin-7-yl)-(4-methylphenyl)methyl]-2-phenoxyacetamide?
The InChIKey is OQNQXFLPBUDTCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClN2O3/c1-16-9-11-17(12-10-16)23(28-22(29)15-31-18-6-3-2-4-7-18)20-14-21(26)19-8-5-13-27-24(19)25(20)30/h2-14,23,30H,15H2,1H3,(H,28,29).
What are the key properties of N-[(5-chloro-8-hydroxyquinolin-7-yl)-(4-methylphenyl)methyl]-2-phenoxyacetamide?
N-[(5-chloro-8-hydroxyquinolin-7-yl)-(4-methylphenyl)methyl]-2-phenoxyacetamide has a molecular weight of 432.91 g/mol, XLogP of 5.19, 6 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-methylphenyl)methyl]-2-phenoxyacetamide is sourced from PubChem (CID 2897263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).