N-(8-methoxyquinolin-5-yl)-3-methylbenzamide

C18H16N2O2 — CID 26823022

IUPACN-(8-methoxyquinolin-5-yl)-3-methylbenzamide
SMILESCOc1ccc(NC(=O)c2cccc(C)c2)c2cccnc12
InChIInChI=1S/C18H16N2O2/c1-12-5-3-6-13(11-12)18(21)20-15-8-9-16(22-2)17-14(15)7-4-10-19-17/h3-11H,1-2H3,(H,20,21)
InChIKeyXDUOFJPQQCJYQA-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.80
Rot. Bonds3

About N-(8-methoxyquinolin-5-yl)-3-methylbenzamide

N-(8-methoxyquinolin-5-yl)-3-methylbenzamide (PubChem CID 26823022) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is N-(8-methoxyquinolin-5-yl)-3-methylbenzamide.

Molecular Properties

Compound NameN-(8-methoxyquinolin-5-yl)-3-methylbenzamide
PubChem CID26823022
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC NameN-(8-methoxyquinolin-5-yl)-3-methylbenzamide
SMILESCOc1ccc(NC(=O)c2cccc(C)c2)c2cccnc12
InChIInChI=1S/C18H16N2O2/c1-12-5-3-6-13(11-12)18(21)20-15-8-9-16(22-2)17-14(15)7-4-10-19-17/h3-11H,1-2H3,(H,20,21)
InChIKeyXDUOFJPQQCJYQA-UHFFFAOYSA-N
XLogP3.80
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(8-methoxyquinolin-5-yl)-3-methylbenzamide?
The IUPAC name of N-(8-methoxyquinolin-5-yl)-3-methylbenzamide (CID 26823022) is N-(8-methoxyquinolin-5-yl)-3-methylbenzamide.
What is the SMILES notation for N-(8-methoxyquinolin-5-yl)-3-methylbenzamide?
The canonical SMILES for N-(8-methoxyquinolin-5-yl)-3-methylbenzamide is COc1ccc(NC(=O)c2cccc(C)c2)c2cccnc12.
What is the InChIKey of N-(8-methoxyquinolin-5-yl)-3-methylbenzamide?
The InChIKey is XDUOFJPQQCJYQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c1-12-5-3-6-13(11-12)18(21)20-15-8-9-16(22-2)17-14(15)7-4-10-19-17/h3-11H,1-2H3,(H,20,21).
What are the key properties of N-(8-methoxyquinolin-5-yl)-3-methylbenzamide?
N-(8-methoxyquinolin-5-yl)-3-methylbenzamide has a molecular weight of 292.34 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-methoxyquinolin-5-yl)-3-methylbenzamide is sourced from PubChem (CID 26823022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).