N-[(5-chloro-8-hydroxyquinolin-7-yl)-(3-fluorophenyl)methyl]-2-pyridin-3-yloxyacetamide

C23H17ClFN3O3 — CID 24961465

IUPACN-[(5-chloro-8-hydroxyquinolin-7-yl)-(3-fluorophenyl)methyl]-2-pyridin-3-yloxyacetamide
SMILESO=C(COc1cccnc1)NC(c1cccc(F)c1)c1cc(Cl)c2cccnc2c1O
InChIInChI=1S/C23H17ClFN3O3/c24-19-11-18(23(30)22-17(19)7-3-9-27-22)21(14-4-1-5-15(25)10-14)28-20(29)13-31-16-6-2-8-26-12-16/h1-12,21,30H,13H2,(H,28,29)
InChIKeyVVEUHZMRADBOCX-UHFFFAOYSA-N
MW437.86 g/mol
LogP4.41
Rot. Bonds6

About N-[(5-chloro-8-hydroxyquinolin-7-yl)-(3-fluorophenyl)methyl]-2-pyridin-3-yloxyacetamide

N-[(5-chloro-8-hydroxyquinolin-7-yl)-(3-fluorophenyl)methyl]-2-pyridin-3-yloxyacetamide (PubChem CID 24961465) has the molecular formula C23H17ClFN3O3 and a molecular weight of 437.86 g/mol. Its IUPAC name is N-[(5-chloro-8-hydroxyquinolin-7-yl)-(3-fluorophenyl)methyl]-2-pyridin-3-yloxyacetamide.

Molecular Properties

Compound NameN-[(5-chloro-8-hydroxyquinolin-7-yl)-(3-fluorophenyl)methyl]-2-pyridin-3-yloxyacetamide
PubChem CID24961465
Molecular FormulaC23H17ClFN3O3
Molecular Weight437.86 g/mol
Exact Mass437.09
IUPAC NameN-[(5-chloro-8-hydroxyquinolin-7-yl)-(3-fluorophenyl)methyl]-2-pyridin-3-yloxyacetamide
SMILESO=C(COc1cccnc1)NC(c1cccc(F)c1)c1cc(Cl)c2cccnc2c1O
InChIInChI=1S/C23H17ClFN3O3/c24-19-11-18(23(30)22-17(19)7-3-9-27-22)21(14-4-1-5-15(25)10-14)28-20(29)13-31-16-6-2-8-26-12-16/h1-12,21,30H,13H2,(H,28,29)
InChIKeyVVEUHZMRADBOCX-UHFFFAOYSA-N
XLogP4.41
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.86
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[(5-chloro-8-hydroxyquinolin-7-yl)-pyridin-3-ylmethyl]acetamide
CID 164865635
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)-(2-chlorophenyl)methyl]-2-phenoxyacetamide;N-[(5-chloro-8-hydroxyquinolin-7-yl)-(4-methylphenyl)methyl]-2-phenoxyacetamide
CID 161339041
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
N-[(5-chloro-8-hydroxyquinolin-7-yl)-(3-methoxyphenyl)methyl]butanamide
CID 164865561
N-[(5-chloro-8-hydroxyquinolin-7-yl)-(furan-2-yl)methyl]-2-phenoxyacetamide
CID 4609641
N-[(5-chloro-8-hydroxyquinolin-7-yl)-thiophen-2-ylmethyl]-2-phenoxyacetamide
CID 24958914
N-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-pyridin-3-yloxyacetamide
CID 94809705
N-[[4-(dimethylamino)phenyl]-(8-hydroxyquinolin-7-yl)methyl]-2-phenoxyacetamide;N-[(3-fluorophenyl)-(8-hydroxyquinolin-7-yl)methyl]-2-phenoxyacetamide
CID 161052145
N-[(5-chloro-8-hydroxyquinolin-7-yl)-(4-oxochromen-3-yl)methyl]-2-phenoxyacetamide
CID 67171298
N-[1,3-benzodioxol-4-yl-(5-chloro-8-hydroxyquinolin-7-yl)methyl]-2-phenoxyacetamide
CID 67171329

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-8-hydroxyquinolin-7-yl)-(3-fluorophenyl)methyl]-2-pyridin-3-yloxyacetamide?
The IUPAC name of N-[(5-chloro-8-hydroxyquinolin-7-yl)-(3-fluorophenyl)methyl]-2-pyridin-3-yloxyacetamide (CID 24961465) is N-[(5-chloro-8-hydroxyquinolin-7-yl)-(3-fluorophenyl)methyl]-2-pyridin-3-yloxyacetamide.
What is the SMILES notation for N-[(5-chloro-8-hydroxyquinolin-7-yl)-(3-fluorophenyl)methyl]-2-pyridin-3-yloxyacetamide?
The canonical SMILES for N-[(5-chloro-8-hydroxyquinolin-7-yl)-(3-fluorophenyl)methyl]-2-pyridin-3-yloxyacetamide is O=C(COc1cccnc1)NC(c1cccc(F)c1)c1cc(Cl)c2cccnc2c1O.
What is the InChIKey of N-[(5-chloro-8-hydroxyquinolin-7-yl)-(3-fluorophenyl)methyl]-2-pyridin-3-yloxyacetamide?
The InChIKey is VVEUHZMRADBOCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClFN3O3/c24-19-11-18(23(30)22-17(19)7-3-9-27-22)21(14-4-1-5-15(25)10-14)28-20(29)13-31-16-6-2-8-26-12-16/h1-12,21,30H,13H2,(H,28,29).
What are the key properties of N-[(5-chloro-8-hydroxyquinolin-7-yl)-(3-fluorophenyl)methyl]-2-pyridin-3-yloxyacetamide?
N-[(5-chloro-8-hydroxyquinolin-7-yl)-(3-fluorophenyl)methyl]-2-pyridin-3-yloxyacetamide has a molecular weight of 437.86 g/mol, XLogP of 4.41, 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)-(3-fluorophenyl)methyl]-2-pyridin-3-yloxyacetamide is sourced from PubChem (CID 24961465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).