N-[(5-chloro-8-hydroxyquinolin-7-yl)-thiophen-2-ylmethyl]-2-phenoxyacetamide

C22H17ClN2O3S — CID 24958914

IUPACN-[(5-chloro-8-hydroxyquinolin-7-yl)-thiophen-2-ylmethyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)NC(c1cccs1)c1cc(Cl)c2cccnc2c1O
InChIInChI=1S/C22H17ClN2O3S/c23-17-12-16(22(27)21-15(17)8-4-10-24-21)20(18-9-5-11-29-18)25-19(26)13-28-14-6-2-1-3-7-14/h1-12,20,27H,13H2,(H,25,26)
InChIKeyJYUMBXNDSCKVEO-UHFFFAOYSA-N
MW424.91 g/mol
LogP4.94
Rot. Bonds6

About N-[(5-chloro-8-hydroxyquinolin-7-yl)-thiophen-2-ylmethyl]-2-phenoxyacetamide

N-[(5-chloro-8-hydroxyquinolin-7-yl)-thiophen-2-ylmethyl]-2-phenoxyacetamide (PubChem CID 24958914) has the molecular formula C22H17ClN2O3S and a molecular weight of 424.91 g/mol. Its IUPAC name is N-[(5-chloro-8-hydroxyquinolin-7-yl)-thiophen-2-ylmethyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[(5-chloro-8-hydroxyquinolin-7-yl)-thiophen-2-ylmethyl]-2-phenoxyacetamide
PubChem CID24958914
Molecular FormulaC22H17ClN2O3S
Molecular Weight424.91 g/mol
Exact Mass424.06
IUPAC NameN-[(5-chloro-8-hydroxyquinolin-7-yl)-thiophen-2-ylmethyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)NC(c1cccs1)c1cc(Cl)c2cccnc2c1O
InChIInChI=1S/C22H17ClN2O3S/c23-17-12-16(22(27)21-15(17)8-4-10-24-21)20(18-9-5-11-29-18)25-19(26)13-28-14-6-2-1-3-7-14/h1-12,20,27H,13H2,(H,25,26)
InChIKeyJYUMBXNDSCKVEO-UHFFFAOYSA-N
XLogP4.94
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.91
LogP ≤ 54.94
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

N-[(5-chloro-8-hydroxyquinolin-7-yl)-(furan-2-yl)methyl]-2-phenoxyacetamide
CID 4609641
N-[(5-chloro-8-hydroxyquinolin-7-yl)-(4-oxochromen-3-yl)methyl]-2-phenoxyacetamide
CID 67171298
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)-phenylmethyl]-2-(4-phenoxyphenoxy)acetamide;N-[(8-hydroxyquinolin-7-yl)-phenylmethyl]-2-phenoxyacetamide
CID 159008930
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-[(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-[(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)-(3-methylthiophen-2-yl)methyl]-2-phenylacetamide
CID 67171823
N-[(5-chloro-8-hydroxyquinolin-7-yl)-(3-fluorophenyl)methyl]-2-pyridin-3-yloxyacetamide
CID 24961465
2-phenoxy-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
CID 8820676

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-8-hydroxyquinolin-7-yl)-thiophen-2-ylmethyl]-2-phenoxyacetamide?
The IUPAC name of N-[(5-chloro-8-hydroxyquinolin-7-yl)-thiophen-2-ylmethyl]-2-phenoxyacetamide (CID 24958914) is N-[(5-chloro-8-hydroxyquinolin-7-yl)-thiophen-2-ylmethyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[(5-chloro-8-hydroxyquinolin-7-yl)-thiophen-2-ylmethyl]-2-phenoxyacetamide?
The canonical SMILES for N-[(5-chloro-8-hydroxyquinolin-7-yl)-thiophen-2-ylmethyl]-2-phenoxyacetamide is O=C(COc1ccccc1)NC(c1cccs1)c1cc(Cl)c2cccnc2c1O.
What is the InChIKey of N-[(5-chloro-8-hydroxyquinolin-7-yl)-thiophen-2-ylmethyl]-2-phenoxyacetamide?
The InChIKey is JYUMBXNDSCKVEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN2O3S/c23-17-12-16(22(27)21-15(17)8-4-10-24-21)20(18-9-5-11-29-18)25-19(26)13-28-14-6-2-1-3-7-14/h1-12,20,27H,13H2,(H,25,26).
What are the key properties of N-[(5-chloro-8-hydroxyquinolin-7-yl)-thiophen-2-ylmethyl]-2-phenoxyacetamide?
N-[(5-chloro-8-hydroxyquinolin-7-yl)-thiophen-2-ylmethyl]-2-phenoxyacetamide has a molecular weight of 424.91 g/mol, XLogP of 4.94, 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)-thiophen-2-ylmethyl]-2-phenoxyacetamide is sourced from PubChem (CID 24958914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).