N-[(2-chlorophenyl)-(8-hydroxy-5-methylquinolin-7-yl)methyl]-2-phenoxyacetamide

C25H21ClN2O3 — CID 24957416

IUPACN-[(2-chlorophenyl)-(8-hydroxy-5-methylquinolin-7-yl)methyl]-2-phenoxyacetamide
SMILESCc1cc(C(NC(=O)COc2ccccc2)c2ccccc2Cl)c(O)c2ncccc12
InChIInChI=1S/C25H21ClN2O3/c1-16-14-20(25(30)24-18(16)11-7-13-27-24)23(19-10-5-6-12-21(19)26)28-22(29)15-31-17-8-3-2-4-9-17/h2-14,23,30H,15H2,1H3,(H,28,29)
InChIKeyZFPLFDYMSDERSK-UHFFFAOYSA-N
MW432.91 g/mol
LogP5.19
Rot. Bonds6

About N-[(2-chlorophenyl)-(8-hydroxy-5-methylquinolin-7-yl)methyl]-2-phenoxyacetamide

N-[(2-chlorophenyl)-(8-hydroxy-5-methylquinolin-7-yl)methyl]-2-phenoxyacetamide (PubChem CID 24957416) has the molecular formula C25H21ClN2O3 and a molecular weight of 432.91 g/mol. Its IUPAC name is N-[(2-chlorophenyl)-(8-hydroxy-5-methylquinolin-7-yl)methyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)-(8-hydroxy-5-methylquinolin-7-yl)methyl]-2-phenoxyacetamide
PubChem CID24957416
Molecular FormulaC25H21ClN2O3
Molecular Weight432.91 g/mol
Exact Mass432.12
IUPAC NameN-[(2-chlorophenyl)-(8-hydroxy-5-methylquinolin-7-yl)methyl]-2-phenoxyacetamide
SMILESCc1cc(C(NC(=O)COc2ccccc2)c2ccccc2Cl)c(O)c2ncccc12
InChIInChI=1S/C25H21ClN2O3/c1-16-14-20(25(30)24-18(16)11-7-13-27-24)23(19-10-5-6-12-21(19)26)28-22(29)15-31-17-8-3-2-4-9-17/h2-14,23,30H,15H2,1H3,(H,28,29)
InChIKeyZFPLFDYMSDERSK-UHFFFAOYSA-N
XLogP5.19
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.91
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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)-(2-chlorophenyl)methyl]-2-phenoxyacetamide;N-[(5-chloro-8-hydroxyquinolin-7-yl)-(4-methylphenyl)methyl]-2-phenoxyacetamide
CID 161339041
N-[(8-hydroxy-5-nitroquinolin-7-yl)-(2-methylphenyl)methyl]-2-phenoxyacetamide
CID 67171815
N-[(5-chloro-8-hydroxyquinolin-7-yl)-(furan-2-yl)methyl]-2-phenoxyacetamide
CID 4609641
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)-thiophen-2-ylmethyl]-2-phenoxyacetamide
CID 24958914
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-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)-phenylmethyl]-2-(4-phenoxyphenoxy)acetamide;N-[(8-hydroxyquinolin-7-yl)-phenylmethyl]-2-phenoxyacetamide
CID 159008930
2-(4-tert-butylanilino)-N-[(5-chloro-8-hydroxyquinolin-7-yl)-(2-chlorophenyl)methyl]acetamide
CID 24961826

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)-(8-hydroxy-5-methylquinolin-7-yl)methyl]-2-phenoxyacetamide?
The IUPAC name of N-[(2-chlorophenyl)-(8-hydroxy-5-methylquinolin-7-yl)methyl]-2-phenoxyacetamide (CID 24957416) is N-[(2-chlorophenyl)-(8-hydroxy-5-methylquinolin-7-yl)methyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[(2-chlorophenyl)-(8-hydroxy-5-methylquinolin-7-yl)methyl]-2-phenoxyacetamide?
The canonical SMILES for N-[(2-chlorophenyl)-(8-hydroxy-5-methylquinolin-7-yl)methyl]-2-phenoxyacetamide is Cc1cc(C(NC(=O)COc2ccccc2)c2ccccc2Cl)c(O)c2ncccc12.
What is the InChIKey of N-[(2-chlorophenyl)-(8-hydroxy-5-methylquinolin-7-yl)methyl]-2-phenoxyacetamide?
The InChIKey is ZFPLFDYMSDERSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClN2O3/c1-16-14-20(25(30)24-18(16)11-7-13-27-24)23(19-10-5-6-12-21(19)26)28-22(29)15-31-17-8-3-2-4-9-17/h2-14,23,30H,15H2,1H3,(H,28,29).
What are the key properties of N-[(2-chlorophenyl)-(8-hydroxy-5-methylquinolin-7-yl)methyl]-2-phenoxyacetamide?
N-[(2-chlorophenyl)-(8-hydroxy-5-methylquinolin-7-yl)methyl]-2-phenoxyacetamide has a molecular weight of 432.91 g/mol, XLogP of 5.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)-(8-hydroxy-5-methylquinolin-7-yl)methyl]-2-phenoxyacetamide is sourced from PubChem (CID 24957416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).