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

C49H39Cl3N4O6 — CID 161339041

IUPACN-[(5-chloro-8-hydroxyquinolin-7-yl)-(2-chlorophenyl)methyl]-2-phenoxyacetamide;N-[(5-chloro-8-hydroxyquinolin-7-yl)-(4-methylphenyl)methyl]-2-phenoxyacetamide
SMILESCc1ccc(C(NC(=O)COc2ccccc2)c2cc(Cl)c3cccnc3c2O)cc1.O=C(COc1ccccc1)NC(c1ccccc1Cl)c1cc(Cl)c2cccnc2c1O
InChIInChI=1S/C25H21ClN2O3.C24H18Cl2N2O3/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;25-19-11-5-4-9-16(19)22(28-21(29)14-31-15-7-2-1-3-8-15)18-13-20(26)17-10-6-12-27-23(17)24(18)30/h2-14,23,30H,15H2,1H3,(H,28,29);1-13,22,30H,14H2,(H,28,29)
InChIKeyVMKRHWZHMHDKOE-UHFFFAOYSA-N
MW886.23 g/mol
LogP10.72
Rot. Bonds12

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

N-[(5-chloro-8-hydroxyquinolin-7-yl)-(2-chlorophenyl)methyl]-2-phenoxyacetamide;N-[(5-chloro-8-hydroxyquinolin-7-yl)-(4-methylphenyl)methyl]-2-phenoxyacetamide (PubChem CID 161339041) has the molecular formula C49H39Cl3N4O6 and a molecular weight of 886.23 g/mol. Its IUPAC name is N-[(5-chloro-8-hydroxyquinolin-7-yl)-(2-chlorophenyl)methyl]-2-phenoxyacetamide;N-[(5-chloro-8-hydroxyquinolin-7-yl)-(4-methylphenyl)methyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[(5-chloro-8-hydroxyquinolin-7-yl)-(2-chlorophenyl)methyl]-2-phenoxyacetamide;N-[(5-chloro-8-hydroxyquinolin-7-yl)-(4-methylphenyl)methyl]-2-phenoxyacetamide
PubChem CID161339041
Molecular FormulaC49H39Cl3N4O6
Molecular Weight886.23 g/mol
Exact Mass884.19
IUPAC NameN-[(5-chloro-8-hydroxyquinolin-7-yl)-(2-chlorophenyl)methyl]-2-phenoxyacetamide;N-[(5-chloro-8-hydroxyquinolin-7-yl)-(4-methylphenyl)methyl]-2-phenoxyacetamide
SMILESCc1ccc(C(NC(=O)COc2ccccc2)c2cc(Cl)c3cccnc3c2O)cc1.O=C(COc1ccccc1)NC(c1ccccc1Cl)c1cc(Cl)c2cccnc2c1O
InChIInChI=1S/C25H21ClN2O3.C24H18Cl2N2O3/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;25-19-11-5-4-9-16(19)22(28-21(29)14-31-15-7-2-1-3-8-15)18-13-20(26)17-10-6-12-27-23(17)24(18)30/h2-14,23,30H,15H2,1H3,(H,28,29);1-13,22,30H,14H2,(H,28,29)
InChIKeyVMKRHWZHMHDKOE-UHFFFAOYSA-N
XLogP10.72
TPSA142.90 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500886.23
LogP ≤ 510.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-chlorophenyl)-(8-hydroxy-5-methylquinolin-7-yl)methyl]-2-phenoxyacetamide
CID 24957416
N-[(5-chloro-8-hydroxyquinolin-7-yl)-(furan-2-yl)methyl]-2-phenoxyacetamide
CID 4609641
N-[3-[(5-chloro-8-hydroxyquinolin-7-yl)-[(2-phenoxyacetyl)amino]methyl]phenyl]-2-(methylamino)acetamide
CID 67170573
N-[(5-chloro-8-hydroxyquinolin-7-yl)-thiophen-2-ylmethyl]-2-phenoxyacetamide
CID 24958914
N-[(2-chloro-4-fluorophenyl)-(5-chloro-8-hydroxyquinolin-7-yl)methyl]-2-phenoxyacetamide;N-[(2-chloro-6-fluorophenyl)-(5-chloro-8-hydroxyquinolin-7-yl)methyl]-2-phenoxyacetamide
CID 159332913
N-[(5-chloro-8-hydroxyquinolin-7-yl)-phenylmethyl]-2-(4-phenoxyphenoxy)acetamide;N-[(8-hydroxyquinolin-7-yl)-phenylmethyl]-2-phenoxyacetamide
CID 159008930
2-chloro-N-[(5-chloro-8-hydroxyquinolin-7-yl)-(2-chlorophenyl)methyl]acetamide
CID 67171600
N-[(5-chloro-8-hydroxyquinolin-7-yl)-(4-oxochromen-3-yl)methyl]-2-phenoxyacetamide
CID 67171298
N-[(5-chloro-8-hydroxyquinolin-7-yl)-(4-methylphenyl)methyl]acetamide
CID 2920402
N-[1,3-benzodioxol-4-yl-(5-chloro-8-hydroxyquinolin-7-yl)methyl]-2-phenoxyacetamide
CID 67171329
N-[(5-chloro-8-hydroxyquinolin-7-yl)-(4-methoxynaphthalen-1-yl)methyl]-2-phenoxyacetamide;N-[(5-chloro-8-hydroxyquinolin-7-yl)-phenanthren-9-ylmethyl]-2-phenoxyacetamide
CID 157258055
N-[(5-chloro-8-hydroxyquinolin-7-yl)-(3-fluorophenyl)methyl]-2-pyridin-3-yloxyacetamide
CID 24961465

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-8-hydroxyquinolin-7-yl)-(2-chlorophenyl)methyl]-2-phenoxyacetamide;N-[(5-chloro-8-hydroxyquinolin-7-yl)-(4-methylphenyl)methyl]-2-phenoxyacetamide?
The IUPAC name of N-[(5-chloro-8-hydroxyquinolin-7-yl)-(2-chlorophenyl)methyl]-2-phenoxyacetamide;N-[(5-chloro-8-hydroxyquinolin-7-yl)-(4-methylphenyl)methyl]-2-phenoxyacetamide (CID 161339041) is N-[(5-chloro-8-hydroxyquinolin-7-yl)-(2-chlorophenyl)methyl]-2-phenoxyacetamide;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)-(2-chlorophenyl)methyl]-2-phenoxyacetamide;N-[(5-chloro-8-hydroxyquinolin-7-yl)-(4-methylphenyl)methyl]-2-phenoxyacetamide?
The canonical SMILES for N-[(5-chloro-8-hydroxyquinolin-7-yl)-(2-chlorophenyl)methyl]-2-phenoxyacetamide;N-[(5-chloro-8-hydroxyquinolin-7-yl)-(4-methylphenyl)methyl]-2-phenoxyacetamide is Cc1ccc(C(NC(=O)COc2ccccc2)c2cc(Cl)c3cccnc3c2O)cc1.O=C(COc1ccccc1)NC(c1ccccc1Cl)c1cc(Cl)c2cccnc2c1O.
What is the InChIKey of N-[(5-chloro-8-hydroxyquinolin-7-yl)-(2-chlorophenyl)methyl]-2-phenoxyacetamide;N-[(5-chloro-8-hydroxyquinolin-7-yl)-(4-methylphenyl)methyl]-2-phenoxyacetamide?
The InChIKey is VMKRHWZHMHDKOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClN2O3.C24H18Cl2N2O3/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;25-19-11-5-4-9-16(19)22(28-21(29)14-31-15-7-2-1-3-8-15)18-13-20(26)17-10-6-12-27-23(17)24(18)30/h2-14,23,30H,15H2,1H3,(H,28,29);1-13,22,30H,14H2,(H,28,29).
What are the key properties of N-[(5-chloro-8-hydroxyquinolin-7-yl)-(2-chlorophenyl)methyl]-2-phenoxyacetamide;N-[(5-chloro-8-hydroxyquinolin-7-yl)-(4-methylphenyl)methyl]-2-phenoxyacetamide?
N-[(5-chloro-8-hydroxyquinolin-7-yl)-(2-chlorophenyl)methyl]-2-phenoxyacetamide;N-[(5-chloro-8-hydroxyquinolin-7-yl)-(4-methylphenyl)methyl]-2-phenoxyacetamide has a molecular weight of 886.23 g/mol, XLogP of 10.72, 12 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-8-hydroxyquinolin-7-yl)-(2-chlorophenyl)methyl]-2-phenoxyacetamide;N-[(5-chloro-8-hydroxyquinolin-7-yl)-(4-methylphenyl)methyl]-2-phenoxyacetamide is sourced from PubChem (CID 161339041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).