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

C21H22N2O3 — CID 2876872

IUPACN-[(8-hydroxyquinolin-7-yl)-(4-methoxyphenyl)methyl]butanamide
SMILESCCCC(=O)NC(c1ccc(OC)cc1)c1ccc2cccnc2c1O
InChIInChI=1S/C21H22N2O3/c1-3-5-18(24)23-19(15-7-10-16(26-2)11-8-15)17-12-9-14-6-4-13-22-20(14)21(17)25/h4,6-13,19,25H,3,5H2,1-2H3,(H,23,24)
InChIKeyWNXRKLHAOWNKAF-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.95
Rot. Bonds6

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

N-[(8-hydroxyquinolin-7-yl)-(4-methoxyphenyl)methyl]butanamide (PubChem CID 2876872) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-[(8-hydroxyquinolin-7-yl)-(4-methoxyphenyl)methyl]butanamide.

Molecular Properties

Compound NameN-[(8-hydroxyquinolin-7-yl)-(4-methoxyphenyl)methyl]butanamide
PubChem CID2876872
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC NameN-[(8-hydroxyquinolin-7-yl)-(4-methoxyphenyl)methyl]butanamide
SMILESCCCC(=O)NC(c1ccc(OC)cc1)c1ccc2cccnc2c1O
InChIInChI=1S/C21H22N2O3/c1-3-5-18(24)23-19(15-7-10-16(26-2)11-8-15)17-12-9-14-6-4-13-22-20(14)21(17)25/h4,6-13,19,25H,3,5H2,1-2H3,(H,23,24)
InChIKeyWNXRKLHAOWNKAF-UHFFFAOYSA-N
XLogP3.95
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.95
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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Frequently Asked Questions

What is the IUPAC name of N-[(8-hydroxyquinolin-7-yl)-(4-methoxyphenyl)methyl]butanamide?
The IUPAC name of N-[(8-hydroxyquinolin-7-yl)-(4-methoxyphenyl)methyl]butanamide (CID 2876872) is N-[(8-hydroxyquinolin-7-yl)-(4-methoxyphenyl)methyl]butanamide.
What is the SMILES notation for N-[(8-hydroxyquinolin-7-yl)-(4-methoxyphenyl)methyl]butanamide?
The canonical SMILES for N-[(8-hydroxyquinolin-7-yl)-(4-methoxyphenyl)methyl]butanamide is CCCC(=O)NC(c1ccc(OC)cc1)c1ccc2cccnc2c1O.
What is the InChIKey of N-[(8-hydroxyquinolin-7-yl)-(4-methoxyphenyl)methyl]butanamide?
The InChIKey is WNXRKLHAOWNKAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-3-5-18(24)23-19(15-7-10-16(26-2)11-8-15)17-12-9-14-6-4-13-22-20(14)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-methoxyphenyl)methyl]butanamide?
N-[(8-hydroxyquinolin-7-yl)-(4-methoxyphenyl)methyl]butanamide has a molecular weight of 350.42 g/mol, XLogP of 3.95, 6 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)-(4-methoxyphenyl)methyl]butanamide is sourced from PubChem (CID 2876872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).