N-[(8-hydroxyquinolin-7-yl)-(2-methoxyphenyl)methyl]propanamide

C20H20N2O3 — CID 2876575

IUPACN-[(8-hydroxyquinolin-7-yl)-(2-methoxyphenyl)methyl]propanamide
SMILESCCC(=O)NC(c1ccccc1OC)c1ccc2cccnc2c1O
InChIInChI=1S/C20H20N2O3/c1-3-17(23)22-19(14-8-4-5-9-16(14)25-2)15-11-10-13-7-6-12-21-18(13)20(15)24/h4-12,19,24H,3H2,1-2H3,(H,22,23)
InChIKeyYNEFSMCIIRWGRL-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.56
Rot. Bonds5

About N-[(8-hydroxyquinolin-7-yl)-(2-methoxyphenyl)methyl]propanamide

N-[(8-hydroxyquinolin-7-yl)-(2-methoxyphenyl)methyl]propanamide (PubChem CID 2876575) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is N-[(8-hydroxyquinolin-7-yl)-(2-methoxyphenyl)methyl]propanamide.

Molecular Properties

Compound NameN-[(8-hydroxyquinolin-7-yl)-(2-methoxyphenyl)methyl]propanamide
PubChem CID2876575
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC NameN-[(8-hydroxyquinolin-7-yl)-(2-methoxyphenyl)methyl]propanamide
SMILESCCC(=O)NC(c1ccccc1OC)c1ccc2cccnc2c1O
InChIInChI=1S/C20H20N2O3/c1-3-17(23)22-19(14-8-4-5-9-16(14)25-2)15-11-10-13-7-6-12-21-18(13)20(15)24/h4-12,19,24H,3H2,1-2H3,(H,22,23)
InChIKeyYNEFSMCIIRWGRL-UHFFFAOYSA-N
XLogP3.56
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(8-hydroxyquinolin-7-yl)-(2-methoxyphenyl)methyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(8-hydroxyquinolin-7-yl)-(2-methoxyphenyl)methyl]propanamide?
The IUPAC name of N-[(8-hydroxyquinolin-7-yl)-(2-methoxyphenyl)methyl]propanamide (CID 2876575) is N-[(8-hydroxyquinolin-7-yl)-(2-methoxyphenyl)methyl]propanamide.
What is the SMILES notation for N-[(8-hydroxyquinolin-7-yl)-(2-methoxyphenyl)methyl]propanamide?
The canonical SMILES for N-[(8-hydroxyquinolin-7-yl)-(2-methoxyphenyl)methyl]propanamide is CCC(=O)NC(c1ccccc1OC)c1ccc2cccnc2c1O.
What is the InChIKey of N-[(8-hydroxyquinolin-7-yl)-(2-methoxyphenyl)methyl]propanamide?
The InChIKey is YNEFSMCIIRWGRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-3-17(23)22-19(14-8-4-5-9-16(14)25-2)15-11-10-13-7-6-12-21-18(13)20(15)24/h4-12,19,24H,3H2,1-2H3,(H,22,23).
What are the key properties of N-[(8-hydroxyquinolin-7-yl)-(2-methoxyphenyl)methyl]propanamide?
N-[(8-hydroxyquinolin-7-yl)-(2-methoxyphenyl)methyl]propanamide has a molecular weight of 336.39 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(8-hydroxyquinolin-7-yl)-(2-methoxyphenyl)methyl]propanamide is sourced from PubChem (CID 2876575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).