N-[(8-hydroxyquinolin-7-yl)-(4-methoxyphenyl)methyl]-2-methylpropanamide

C21H22N2O3 — CID 2876839

IUPACN-[(8-hydroxyquinolin-7-yl)-(4-methoxyphenyl)methyl]-2-methylpropanamide
SMILESCOc1ccc(C(NC(=O)C(C)C)c2ccc3cccnc3c2O)cc1
InChIInChI=1S/C21H22N2O3/c1-13(2)21(25)23-18(15-6-9-16(26-3)10-7-15)17-11-8-14-5-4-12-22-19(14)20(17)24/h4-13,18,24H,1-3H3,(H,23,25)
InChIKeyRVEFWDFDCPPOIN-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.81
Rot. Bonds5

About N-[(8-hydroxyquinolin-7-yl)-(4-methoxyphenyl)methyl]-2-methylpropanamide

N-[(8-hydroxyquinolin-7-yl)-(4-methoxyphenyl)methyl]-2-methylpropanamide (PubChem CID 2876839) 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]-2-methylpropanamide.

Molecular Properties

Compound NameN-[(8-hydroxyquinolin-7-yl)-(4-methoxyphenyl)methyl]-2-methylpropanamide
PubChem CID2876839
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC NameN-[(8-hydroxyquinolin-7-yl)-(4-methoxyphenyl)methyl]-2-methylpropanamide
SMILESCOc1ccc(C(NC(=O)C(C)C)c2ccc3cccnc3c2O)cc1
InChIInChI=1S/C21H22N2O3/c1-13(2)21(25)23-18(15-6-9-16(26-3)10-7-15)17-11-8-14-5-4-12-22-19(14)20(17)24/h4-13,18,24H,1-3H3,(H,23,25)
InChIKeyRVEFWDFDCPPOIN-UHFFFAOYSA-N
XLogP3.81
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.81
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]-2-methylpropanamide?
The IUPAC name of N-[(8-hydroxyquinolin-7-yl)-(4-methoxyphenyl)methyl]-2-methylpropanamide (CID 2876839) is N-[(8-hydroxyquinolin-7-yl)-(4-methoxyphenyl)methyl]-2-methylpropanamide.
What is the SMILES notation for N-[(8-hydroxyquinolin-7-yl)-(4-methoxyphenyl)methyl]-2-methylpropanamide?
The canonical SMILES for N-[(8-hydroxyquinolin-7-yl)-(4-methoxyphenyl)methyl]-2-methylpropanamide is COc1ccc(C(NC(=O)C(C)C)c2ccc3cccnc3c2O)cc1.
What is the InChIKey of N-[(8-hydroxyquinolin-7-yl)-(4-methoxyphenyl)methyl]-2-methylpropanamide?
The InChIKey is RVEFWDFDCPPOIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-13(2)21(25)23-18(15-6-9-16(26-3)10-7-15)17-11-8-14-5-4-12-22-19(14)20(17)24/h4-13,18,24H,1-3H3,(H,23,25).
What are the key properties of N-[(8-hydroxyquinolin-7-yl)-(4-methoxyphenyl)methyl]-2-methylpropanamide?
N-[(8-hydroxyquinolin-7-yl)-(4-methoxyphenyl)methyl]-2-methylpropanamide has a molecular weight of 350.42 g/mol, XLogP of 3.81, 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)-(4-methoxyphenyl)methyl]-2-methylpropanamide is sourced from PubChem (CID 2876839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).