N-[(8-hydroxyquinolin-7-yl)-(4-methylphenyl)methyl]butanamide

C21H22N2O2 — CID 3129243

IUPACN-[(8-hydroxyquinolin-7-yl)-(4-methylphenyl)methyl]butanamide
SMILESCCCC(=O)NC(c1ccc(C)cc1)c1ccc2cccnc2c1O
InChIInChI=1S/C21H22N2O2/c1-3-5-18(24)23-19(16-9-7-14(2)8-10-16)17-12-11-15-6-4-13-22-20(15)21(17)25/h4,6-13,19,25H,3,5H2,1-2H3,(H,23,24)
InChIKeyYLHAGZFGLRYNET-UHFFFAOYSA-N
MW334.42 g/mol
LogP4.25
Rot. Bonds5

About N-[(8-hydroxyquinolin-7-yl)-(4-methylphenyl)methyl]butanamide

N-[(8-hydroxyquinolin-7-yl)-(4-methylphenyl)methyl]butanamide (PubChem CID 3129243) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-[(8-hydroxyquinolin-7-yl)-(4-methylphenyl)methyl]butanamide.

Molecular Properties

Compound NameN-[(8-hydroxyquinolin-7-yl)-(4-methylphenyl)methyl]butanamide
PubChem CID3129243
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC NameN-[(8-hydroxyquinolin-7-yl)-(4-methylphenyl)methyl]butanamide
SMILESCCCC(=O)NC(c1ccc(C)cc1)c1ccc2cccnc2c1O
InChIInChI=1S/C21H22N2O2/c1-3-5-18(24)23-19(16-9-7-14(2)8-10-16)17-12-11-15-6-4-13-22-20(15)21(17)25/h4,6-13,19,25H,3,5H2,1-2H3,(H,23,24)
InChIKeyYLHAGZFGLRYNET-UHFFFAOYSA-N
XLogP4.25
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(8-hydroxyquinolin-7-yl)-(4-methylphenyl)methyl]butanamide?
The IUPAC name of N-[(8-hydroxyquinolin-7-yl)-(4-methylphenyl)methyl]butanamide (CID 3129243) is N-[(8-hydroxyquinolin-7-yl)-(4-methylphenyl)methyl]butanamide.
What is the SMILES notation for N-[(8-hydroxyquinolin-7-yl)-(4-methylphenyl)methyl]butanamide?
The canonical SMILES for N-[(8-hydroxyquinolin-7-yl)-(4-methylphenyl)methyl]butanamide is CCCC(=O)NC(c1ccc(C)cc1)c1ccc2cccnc2c1O.
What is the InChIKey of N-[(8-hydroxyquinolin-7-yl)-(4-methylphenyl)methyl]butanamide?
The InChIKey is YLHAGZFGLRYNET-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-3-5-18(24)23-19(16-9-7-14(2)8-10-16)17-12-11-15-6-4-13-22-20(15)21(17)25/h4,6-13,19,25H,3,5H2,1-2H3,(H,23,24).
What are the key properties of N-[(8-hydroxyquinolin-7-yl)-(4-methylphenyl)methyl]butanamide?
N-[(8-hydroxyquinolin-7-yl)-(4-methylphenyl)methyl]butanamide has a molecular weight of 334.42 g/mol, XLogP of 4.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(8-hydroxyquinolin-7-yl)-(4-methylphenyl)methyl]butanamide is sourced from PubChem (CID 3129243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).