N-[2-[(E)-2-(8-hydroxy-5,7-dimethylquinolin-2-yl)ethenyl]phenyl]acetamide

C21H20N2O2 — CID 5339437

IUPACN-[2-[(E)-2-(8-hydroxy-5,7-dimethylquinolin-2-yl)ethenyl]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1/C=C/c1ccc2c(C)cc(C)c(O)c2n1
InChIInChI=1S/C21H20N2O2/c1-13-12-14(2)21(25)20-18(13)11-10-17(23-20)9-8-16-6-4-5-7-19(16)22-15(3)24/h4-12,25H,1-3H3,(H,22,24)/b9-8+
InChIKeyMLPIRNKPHUVEJQ-CMDGGOBGSA-N
MW332.40 g/mol
LogP4.69
Rot. Bonds3

About N-[2-[(E)-2-(8-hydroxy-5,7-dimethylquinolin-2-yl)ethenyl]phenyl]acetamide

N-[2-[(E)-2-(8-hydroxy-5,7-dimethylquinolin-2-yl)ethenyl]phenyl]acetamide (PubChem CID 5339437) has the molecular formula C21H20N2O2 and a molecular weight of 332.40 g/mol. Its IUPAC name is N-[2-[(E)-2-(8-hydroxy-5,7-dimethylquinolin-2-yl)ethenyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-[(E)-2-(8-hydroxy-5,7-dimethylquinolin-2-yl)ethenyl]phenyl]acetamide
PubChem CID5339437
Molecular FormulaC21H20N2O2
Molecular Weight332.40 g/mol
Exact Mass332.15
IUPAC NameN-[2-[(E)-2-(8-hydroxy-5,7-dimethylquinolin-2-yl)ethenyl]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1/C=C/c1ccc2c(C)cc(C)c(O)c2n1
InChIInChI=1S/C21H20N2O2/c1-13-12-14(2)21(25)20-18(13)11-10-17(23-20)9-8-16-6-4-5-7-19(16)22-15(3)24/h4-12,25H,1-3H3,(H,22,24)/b9-8+
InChIKeyMLPIRNKPHUVEJQ-CMDGGOBGSA-N
XLogP4.69
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(E)-2-(8-hydroxy-5,7-dimethylquinolin-2-yl)ethenyl]phenyl]acetamide?
The IUPAC name of N-[2-[(E)-2-(8-hydroxy-5,7-dimethylquinolin-2-yl)ethenyl]phenyl]acetamide (CID 5339437) is N-[2-[(E)-2-(8-hydroxy-5,7-dimethylquinolin-2-yl)ethenyl]phenyl]acetamide.
What is the SMILES notation for N-[2-[(E)-2-(8-hydroxy-5,7-dimethylquinolin-2-yl)ethenyl]phenyl]acetamide?
The canonical SMILES for N-[2-[(E)-2-(8-hydroxy-5,7-dimethylquinolin-2-yl)ethenyl]phenyl]acetamide is CC(=O)Nc1ccccc1/C=C/c1ccc2c(C)cc(C)c(O)c2n1.
What is the InChIKey of N-[2-[(E)-2-(8-hydroxy-5,7-dimethylquinolin-2-yl)ethenyl]phenyl]acetamide?
The InChIKey is MLPIRNKPHUVEJQ-CMDGGOBGSA-N. The full InChI is InChI=1S/C21H20N2O2/c1-13-12-14(2)21(25)20-18(13)11-10-17(23-20)9-8-16-6-4-5-7-19(16)22-15(3)24/h4-12,25H,1-3H3,(H,22,24)/b9-8+.
What are the key properties of N-[2-[(E)-2-(8-hydroxy-5,7-dimethylquinolin-2-yl)ethenyl]phenyl]acetamide?
N-[2-[(E)-2-(8-hydroxy-5,7-dimethylquinolin-2-yl)ethenyl]phenyl]acetamide has a molecular weight of 332.40 g/mol, XLogP of 4.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(E)-2-(8-hydroxy-5,7-dimethylquinolin-2-yl)ethenyl]phenyl]acetamide is sourced from PubChem (CID 5339437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).