N-[(8-hydroxyquinolin-5-yl)methyl]-4-methylbenzamide

C18H16N2O2 — CID 45112798

IUPACN-[(8-hydroxyquinolin-5-yl)methyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCc2ccc(O)c3ncccc23)cc1
InChIInChI=1S/C18H16N2O2/c1-12-4-6-13(7-5-12)18(22)20-11-14-8-9-16(21)17-15(14)3-2-10-19-17/h2-10,21H,11H2,1H3,(H,20,22)
InChIKeyRLXUKPFUWRCUTN-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.18
Rot. Bonds3

About N-[(8-hydroxyquinolin-5-yl)methyl]-4-methylbenzamide

N-[(8-hydroxyquinolin-5-yl)methyl]-4-methylbenzamide (PubChem CID 45112798) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is N-[(8-hydroxyquinolin-5-yl)methyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[(8-hydroxyquinolin-5-yl)methyl]-4-methylbenzamide
PubChem CID45112798
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC NameN-[(8-hydroxyquinolin-5-yl)methyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCc2ccc(O)c3ncccc23)cc1
InChIInChI=1S/C18H16N2O2/c1-12-4-6-13(7-5-12)18(22)20-11-14-8-9-16(21)17-15(14)3-2-10-19-17/h2-10,21H,11H2,1H3,(H,20,22)
InChIKeyRLXUKPFUWRCUTN-UHFFFAOYSA-N
XLogP3.18
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(8-hydroxyquinolin-5-yl)methyl]-4-methylbenzamide 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-5-yl)methyl]-4-methylbenzamide?
The IUPAC name of N-[(8-hydroxyquinolin-5-yl)methyl]-4-methylbenzamide (CID 45112798) is N-[(8-hydroxyquinolin-5-yl)methyl]-4-methylbenzamide.
What is the SMILES notation for N-[(8-hydroxyquinolin-5-yl)methyl]-4-methylbenzamide?
The canonical SMILES for N-[(8-hydroxyquinolin-5-yl)methyl]-4-methylbenzamide is Cc1ccc(C(=O)NCc2ccc(O)c3ncccc23)cc1.
What is the InChIKey of N-[(8-hydroxyquinolin-5-yl)methyl]-4-methylbenzamide?
The InChIKey is RLXUKPFUWRCUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c1-12-4-6-13(7-5-12)18(22)20-11-14-8-9-16(21)17-15(14)3-2-10-19-17/h2-10,21H,11H2,1H3,(H,20,22).
What are the key properties of N-[(8-hydroxyquinolin-5-yl)methyl]-4-methylbenzamide?
N-[(8-hydroxyquinolin-5-yl)methyl]-4-methylbenzamide has a molecular weight of 292.34 g/mol, XLogP of 3.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(8-hydroxyquinolin-5-yl)methyl]-4-methylbenzamide is sourced from PubChem (CID 45112798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).