N-[(8-hydroxyquinolin-7-yl)-(4-propan-2-ylphenyl)methyl]acetamide

C21H22N2O2 — CID 2921404

IUPACN-[(8-hydroxyquinolin-7-yl)-(4-propan-2-ylphenyl)methyl]acetamide
SMILESCC(=O)NC(c1ccc(C(C)C)cc1)c1ccc2cccnc2c1O
InChIInChI=1S/C21H22N2O2/c1-13(2)15-6-8-17(9-7-15)19(23-14(3)24)18-11-10-16-5-4-12-22-20(16)21(18)25/h4-13,19,25H,1-3H3,(H,23,24)
InChIKeyMWQWZIWMSWUMLW-UHFFFAOYSA-N
MW334.42 g/mol
LogP4.29
Rot. Bonds4

About N-[(8-hydroxyquinolin-7-yl)-(4-propan-2-ylphenyl)methyl]acetamide

N-[(8-hydroxyquinolin-7-yl)-(4-propan-2-ylphenyl)methyl]acetamide (PubChem CID 2921404) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-[(8-hydroxyquinolin-7-yl)-(4-propan-2-ylphenyl)methyl]acetamide.

Molecular Properties

Compound NameN-[(8-hydroxyquinolin-7-yl)-(4-propan-2-ylphenyl)methyl]acetamide
PubChem CID2921404
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC NameN-[(8-hydroxyquinolin-7-yl)-(4-propan-2-ylphenyl)methyl]acetamide
SMILESCC(=O)NC(c1ccc(C(C)C)cc1)c1ccc2cccnc2c1O
InChIInChI=1S/C21H22N2O2/c1-13(2)15-6-8-17(9-7-15)19(23-14(3)24)18-11-10-16-5-4-12-22-20(16)21(18)25/h4-13,19,25H,1-3H3,(H,23,24)
InChIKeyMWQWZIWMSWUMLW-UHFFFAOYSA-N
XLogP4.29
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.29
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-propan-2-ylphenyl)methyl]acetamide?
The IUPAC name of N-[(8-hydroxyquinolin-7-yl)-(4-propan-2-ylphenyl)methyl]acetamide (CID 2921404) is N-[(8-hydroxyquinolin-7-yl)-(4-propan-2-ylphenyl)methyl]acetamide.
What is the SMILES notation for N-[(8-hydroxyquinolin-7-yl)-(4-propan-2-ylphenyl)methyl]acetamide?
The canonical SMILES for N-[(8-hydroxyquinolin-7-yl)-(4-propan-2-ylphenyl)methyl]acetamide is CC(=O)NC(c1ccc(C(C)C)cc1)c1ccc2cccnc2c1O.
What is the InChIKey of N-[(8-hydroxyquinolin-7-yl)-(4-propan-2-ylphenyl)methyl]acetamide?
The InChIKey is MWQWZIWMSWUMLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-13(2)15-6-8-17(9-7-15)19(23-14(3)24)18-11-10-16-5-4-12-22-20(16)21(18)25/h4-13,19,25H,1-3H3,(H,23,24).
What are the key properties of N-[(8-hydroxyquinolin-7-yl)-(4-propan-2-ylphenyl)methyl]acetamide?
N-[(8-hydroxyquinolin-7-yl)-(4-propan-2-ylphenyl)methyl]acetamide has a molecular weight of 334.42 g/mol, XLogP of 4.29, 4 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-propan-2-ylphenyl)methyl]acetamide is sourced from PubChem (CID 2921404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).