N-[[4-(dimethylamino)phenyl]-(8-hydroxyquinolin-7-yl)methyl]-2-phenoxyacetamide;N-[(3-fluorophenyl)-(8-hydroxyquinolin-7-yl)methyl]-2-phenoxyacetamide

C50H44FN5O6 — CID 161052145

IUPACN-[[4-(dimethylamino)phenyl]-(8-hydroxyquinolin-7-yl)methyl]-2-phenoxyacetamide;N-[(3-fluorophenyl)-(8-hydroxyquinolin-7-yl)methyl]-2-phenoxyacetamide
SMILESCN(C)c1ccc(C(NC(=O)COc2ccccc2)c2ccc3cccnc3c2O)cc1.O=C(COc1ccccc1)NC(c1cccc(F)c1)c1ccc2cccnc2c1O
InChIInChI=1S/C26H25N3O3.C24H19FN2O3/c1-29(2)20-13-10-19(11-14-20)24(28-23(30)17-32-21-8-4-3-5-9-21)22-15-12-18-7-6-16-27-25(18)26(22)31;25-18-8-4-6-17(14-18)22(27-21(28)15-30-19-9-2-1-3-10-19)20-12-11-16-7-5-13-26-23(16)24(20)29/h3-16,24,31H,17H2,1-2H3,(H,28,30);1-14,22,29H,15H2,(H,27,28)
InChIKeyUCGWJQCZPQVSOC-UHFFFAOYSA-N
MW829.93 g/mol
LogP8.66
Rot. Bonds13

About N-[[4-(dimethylamino)phenyl]-(8-hydroxyquinolin-7-yl)methyl]-2-phenoxyacetamide;N-[(3-fluorophenyl)-(8-hydroxyquinolin-7-yl)methyl]-2-phenoxyacetamide

N-[[4-(dimethylamino)phenyl]-(8-hydroxyquinolin-7-yl)methyl]-2-phenoxyacetamide;N-[(3-fluorophenyl)-(8-hydroxyquinolin-7-yl)methyl]-2-phenoxyacetamide (PubChem CID 161052145) has the molecular formula C50H44FN5O6 and a molecular weight of 829.93 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]-(8-hydroxyquinolin-7-yl)methyl]-2-phenoxyacetamide;N-[(3-fluorophenyl)-(8-hydroxyquinolin-7-yl)methyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]-(8-hydroxyquinolin-7-yl)methyl]-2-phenoxyacetamide;N-[(3-fluorophenyl)-(8-hydroxyquinolin-7-yl)methyl]-2-phenoxyacetamide
PubChem CID161052145
Molecular FormulaC50H44FN5O6
Molecular Weight829.93 g/mol
Exact Mass829.33
IUPAC NameN-[[4-(dimethylamino)phenyl]-(8-hydroxyquinolin-7-yl)methyl]-2-phenoxyacetamide;N-[(3-fluorophenyl)-(8-hydroxyquinolin-7-yl)methyl]-2-phenoxyacetamide
SMILESCN(C)c1ccc(C(NC(=O)COc2ccccc2)c2ccc3cccnc3c2O)cc1.O=C(COc1ccccc1)NC(c1cccc(F)c1)c1ccc2cccnc2c1O
InChIInChI=1S/C26H25N3O3.C24H19FN2O3/c1-29(2)20-13-10-19(11-14-20)24(28-23(30)17-32-21-8-4-3-5-9-21)22-15-12-18-7-6-16-27-25(18)26(22)31;25-18-8-4-6-17(14-18)22(27-21(28)15-30-19-9-2-1-3-10-19)20-12-11-16-7-5-13-26-23(16)24(20)29/h3-16,24,31H,17H2,1-2H3,(H,28,30);1-14,22,29H,15H2,(H,27,28)
InChIKeyUCGWJQCZPQVSOC-UHFFFAOYSA-N
XLogP8.66
TPSA146.14 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds13
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500829.93
LogP ≤ 58.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze N-[[4-(dimethylamino)phenyl]-(8-hydroxyquinolin-7-yl)methyl]-2-phenoxyacetamide;N-[(3-fluorophenyl)-(8-hydroxyquinolin-7-yl)methyl]-2-phenoxyacetamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[(S)-[4-(dimethylamino)phenyl]-(8-hydroxyquinolin-7-yl)methyl]propanamide
CID 7064517
N-[(R)-[4-(dimethylamino)phenyl]-(8-hydroxyquinolin-7-yl)methyl]butanamide
CID 1118804
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-fluorophenyl)methyl]-2-pyridin-3-yloxyacetamide
CID 24961465
N-[(R)-(8-hydroxyquinolin-7-yl)-(4-methoxyphenyl)methyl]-2-phenylacetamide
CID 2225663
N-[(4-fluorophenyl)-(8-hydroxyquinolin-7-yl)methyl]acetamide
CID 2872181
4-fluoro-N-[(8-hydroxyquinolin-7-yl)-phenylmethyl]benzamide
CID 146474891
N-[(S)-(8-hydroxyquinolin-7-yl)-naphthalen-2-ylmethyl]benzamide
CID 2173643
N-[(S)-(8-hydroxyquinolin-7-yl)-(4-methoxyphenyl)methyl]benzamide
CID 1369908
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-[(S)-(8-hydroxyquinolin-7-yl)-(4-methylphenyl)methyl]-3-phenylpropanamide
CID 1084506
N-[(8-hydroxyquinolin-7-yl)-phenylmethyl]-3-methylbenzamide
CID 146474984

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]-(8-hydroxyquinolin-7-yl)methyl]-2-phenoxyacetamide;N-[(3-fluorophenyl)-(8-hydroxyquinolin-7-yl)methyl]-2-phenoxyacetamide?
The IUPAC name of N-[[4-(dimethylamino)phenyl]-(8-hydroxyquinolin-7-yl)methyl]-2-phenoxyacetamide;N-[(3-fluorophenyl)-(8-hydroxyquinolin-7-yl)methyl]-2-phenoxyacetamide (CID 161052145) is N-[[4-(dimethylamino)phenyl]-(8-hydroxyquinolin-7-yl)methyl]-2-phenoxyacetamide;N-[(3-fluorophenyl)-(8-hydroxyquinolin-7-yl)methyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]-(8-hydroxyquinolin-7-yl)methyl]-2-phenoxyacetamide;N-[(3-fluorophenyl)-(8-hydroxyquinolin-7-yl)methyl]-2-phenoxyacetamide?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]-(8-hydroxyquinolin-7-yl)methyl]-2-phenoxyacetamide;N-[(3-fluorophenyl)-(8-hydroxyquinolin-7-yl)methyl]-2-phenoxyacetamide is CN(C)c1ccc(C(NC(=O)COc2ccccc2)c2ccc3cccnc3c2O)cc1.O=C(COc1ccccc1)NC(c1cccc(F)c1)c1ccc2cccnc2c1O.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]-(8-hydroxyquinolin-7-yl)methyl]-2-phenoxyacetamide;N-[(3-fluorophenyl)-(8-hydroxyquinolin-7-yl)methyl]-2-phenoxyacetamide?
The InChIKey is UCGWJQCZPQVSOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O3.C24H19FN2O3/c1-29(2)20-13-10-19(11-14-20)24(28-23(30)17-32-21-8-4-3-5-9-21)22-15-12-18-7-6-16-27-25(18)26(22)31;25-18-8-4-6-17(14-18)22(27-21(28)15-30-19-9-2-1-3-10-19)20-12-11-16-7-5-13-26-23(16)24(20)29/h3-16,24,31H,17H2,1-2H3,(H,28,30);1-14,22,29H,15H2,(H,27,28).
What are the key properties of N-[[4-(dimethylamino)phenyl]-(8-hydroxyquinolin-7-yl)methyl]-2-phenoxyacetamide;N-[(3-fluorophenyl)-(8-hydroxyquinolin-7-yl)methyl]-2-phenoxyacetamide?
N-[[4-(dimethylamino)phenyl]-(8-hydroxyquinolin-7-yl)methyl]-2-phenoxyacetamide;N-[(3-fluorophenyl)-(8-hydroxyquinolin-7-yl)methyl]-2-phenoxyacetamide has a molecular weight of 829.93 g/mol, XLogP of 8.66, 13 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)phenyl]-(8-hydroxyquinolin-7-yl)methyl]-2-phenoxyacetamide;N-[(3-fluorophenyl)-(8-hydroxyquinolin-7-yl)methyl]-2-phenoxyacetamide is sourced from PubChem (CID 161052145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).