N-[(5-chloro-8-hydroxyquinolin-7-yl)-phenylmethyl]-2-(4-phenoxyphenoxy)acetamide;N-[(8-hydroxyquinolin-7-yl)-phenylmethyl]-2-phenoxyacetamide

C54H43ClN4O7 — CID 159008930

IUPACN-[(5-chloro-8-hydroxyquinolin-7-yl)-phenylmethyl]-2-(4-phenoxyphenoxy)acetamide;N-[(8-hydroxyquinolin-7-yl)-phenylmethyl]-2-phenoxyacetamide
SMILESO=C(COc1ccc(Oc2ccccc2)cc1)NC(c1ccccc1)c1cc(Cl)c2cccnc2c1O.O=C(COc1ccccc1)NC(c1ccccc1)c1ccc2cccnc2c1O
InChIInChI=1S/C30H23ClN2O4.C24H20N2O3/c31-26-18-25(30(35)29-24(26)12-7-17-32-29)28(20-8-3-1-4-9-20)33-27(34)19-36-21-13-15-23(16-14-21)37-22-10-5-2-6-11-22;27-21(16-29-19-11-5-2-6-12-19)26-22(17-8-3-1-4-9-17)20-14-13-18-10-7-15-25-23(18)24(20)28/h1-18,28,35H,19H2,(H,33,34);1-15,22,28H,16H2,(H,26,27)
InChIKeyJSGPKMZNGSFKHW-UHFFFAOYSA-N
MW895.41 g/mol
LogP10.90
Rot. Bonds14

About N-[(5-chloro-8-hydroxyquinolin-7-yl)-phenylmethyl]-2-(4-phenoxyphenoxy)acetamide;N-[(8-hydroxyquinolin-7-yl)-phenylmethyl]-2-phenoxyacetamide

N-[(5-chloro-8-hydroxyquinolin-7-yl)-phenylmethyl]-2-(4-phenoxyphenoxy)acetamide;N-[(8-hydroxyquinolin-7-yl)-phenylmethyl]-2-phenoxyacetamide (PubChem CID 159008930) has the molecular formula C54H43ClN4O7 and a molecular weight of 895.41 g/mol. Its IUPAC name is N-[(5-chloro-8-hydroxyquinolin-7-yl)-phenylmethyl]-2-(4-phenoxyphenoxy)acetamide;N-[(8-hydroxyquinolin-7-yl)-phenylmethyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[(5-chloro-8-hydroxyquinolin-7-yl)-phenylmethyl]-2-(4-phenoxyphenoxy)acetamide;N-[(8-hydroxyquinolin-7-yl)-phenylmethyl]-2-phenoxyacetamide
PubChem CID159008930
Molecular FormulaC54H43ClN4O7
Molecular Weight895.41 g/mol
Exact Mass894.28
IUPAC NameN-[(5-chloro-8-hydroxyquinolin-7-yl)-phenylmethyl]-2-(4-phenoxyphenoxy)acetamide;N-[(8-hydroxyquinolin-7-yl)-phenylmethyl]-2-phenoxyacetamide
SMILESO=C(COc1ccc(Oc2ccccc2)cc1)NC(c1ccccc1)c1cc(Cl)c2cccnc2c1O.O=C(COc1ccccc1)NC(c1ccccc1)c1ccc2cccnc2c1O
InChIInChI=1S/C30H23ClN2O4.C24H20N2O3/c31-26-18-25(30(35)29-24(26)12-7-17-32-29)28(20-8-3-1-4-9-20)33-27(34)19-36-21-13-15-23(16-14-21)37-22-10-5-2-6-11-22;27-21(16-29-19-11-5-2-6-12-19)26-22(17-8-3-1-4-9-17)20-14-13-18-10-7-15-25-23(18)24(20)28/h1-18,28,35H,19H2,(H,33,34);1-15,22,28H,16H2,(H,26,27)
InChIKeyJSGPKMZNGSFKHW-UHFFFAOYSA-N
XLogP10.90
TPSA152.13 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds14
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500895.41
LogP ≤ 510.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

N-[(5-chloro-8-hydroxyquinolin-7-yl)-(furan-2-yl)methyl]-2-phenoxyacetamide
CID 4609641
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-[(5-chloro-8-hydroxyquinolin-7-yl)-thiophen-2-ylmethyl]-2-phenoxyacetamide
CID 24958914
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-[3-[(5-chloro-8-hydroxyquinolin-7-yl)-[(2-phenoxyacetyl)amino]methyl]phenyl]-2-(methylamino)acetamide
CID 67170573
N-[(5-chloro-8-hydroxyquinolin-7-yl)-(3-fluorophenyl)methyl]-2-pyridin-3-yloxyacetamide
CID 24961465
N-[(5-chloro-8-hydroxyquinolin-7-yl)-(4-oxochromen-3-yl)methyl]-2-phenoxyacetamide
CID 67171298
N-[[4-(dimethylamino)phenyl]-(8-hydroxyquinolin-7-yl)methyl]-2-phenoxyacetamide;N-[(3-fluorophenyl)-(8-hydroxyquinolin-7-yl)methyl]-2-phenoxyacetamide
CID 161052145
N-[(2-chlorophenyl)-(8-hydroxy-5-methylquinolin-7-yl)methyl]-2-phenoxyacetamide
CID 24957416
N-[1,3-benzodioxol-4-yl-(5-chloro-8-hydroxyquinolin-7-yl)methyl]-2-phenoxyacetamide
CID 67171329
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]benzamide
CID 24958912

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-8-hydroxyquinolin-7-yl)-phenylmethyl]-2-(4-phenoxyphenoxy)acetamide;N-[(8-hydroxyquinolin-7-yl)-phenylmethyl]-2-phenoxyacetamide?
The IUPAC name of N-[(5-chloro-8-hydroxyquinolin-7-yl)-phenylmethyl]-2-(4-phenoxyphenoxy)acetamide;N-[(8-hydroxyquinolin-7-yl)-phenylmethyl]-2-phenoxyacetamide (CID 159008930) is N-[(5-chloro-8-hydroxyquinolin-7-yl)-phenylmethyl]-2-(4-phenoxyphenoxy)acetamide;N-[(8-hydroxyquinolin-7-yl)-phenylmethyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[(5-chloro-8-hydroxyquinolin-7-yl)-phenylmethyl]-2-(4-phenoxyphenoxy)acetamide;N-[(8-hydroxyquinolin-7-yl)-phenylmethyl]-2-phenoxyacetamide?
The canonical SMILES for N-[(5-chloro-8-hydroxyquinolin-7-yl)-phenylmethyl]-2-(4-phenoxyphenoxy)acetamide;N-[(8-hydroxyquinolin-7-yl)-phenylmethyl]-2-phenoxyacetamide is O=C(COc1ccc(Oc2ccccc2)cc1)NC(c1ccccc1)c1cc(Cl)c2cccnc2c1O.O=C(COc1ccccc1)NC(c1ccccc1)c1ccc2cccnc2c1O.
What is the InChIKey of N-[(5-chloro-8-hydroxyquinolin-7-yl)-phenylmethyl]-2-(4-phenoxyphenoxy)acetamide;N-[(8-hydroxyquinolin-7-yl)-phenylmethyl]-2-phenoxyacetamide?
The InChIKey is JSGPKMZNGSFKHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23ClN2O4.C24H20N2O3/c31-26-18-25(30(35)29-24(26)12-7-17-32-29)28(20-8-3-1-4-9-20)33-27(34)19-36-21-13-15-23(16-14-21)37-22-10-5-2-6-11-22;27-21(16-29-19-11-5-2-6-12-19)26-22(17-8-3-1-4-9-17)20-14-13-18-10-7-15-25-23(18)24(20)28/h1-18,28,35H,19H2,(H,33,34);1-15,22,28H,16H2,(H,26,27).
What are the key properties of N-[(5-chloro-8-hydroxyquinolin-7-yl)-phenylmethyl]-2-(4-phenoxyphenoxy)acetamide;N-[(8-hydroxyquinolin-7-yl)-phenylmethyl]-2-phenoxyacetamide?
N-[(5-chloro-8-hydroxyquinolin-7-yl)-phenylmethyl]-2-(4-phenoxyphenoxy)acetamide;N-[(8-hydroxyquinolin-7-yl)-phenylmethyl]-2-phenoxyacetamide has a molecular weight of 895.41 g/mol, XLogP of 10.90, 14 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-8-hydroxyquinolin-7-yl)-phenylmethyl]-2-(4-phenoxyphenoxy)acetamide;N-[(8-hydroxyquinolin-7-yl)-phenylmethyl]-2-phenoxyacetamide is sourced from PubChem (CID 159008930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).