N-(2,6-dimethylquinolin-5-yl)-4-methylbenzamide

C19H18N2O — CID 3301637

IUPACN-(2,6-dimethylquinolin-5-yl)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2c(C)ccc3nc(C)ccc23)cc1
InChIInChI=1S/C19H18N2O/c1-12-4-8-15(9-5-12)19(22)21-18-13(2)6-11-17-16(18)10-7-14(3)20-17/h4-11H,1-3H3,(H,21,22)
InChIKeyBPJKLLFPHUAACA-UHFFFAOYSA-N
MW290.37 g/mol
LogP4.41
Rot. Bonds2

About N-(2,6-dimethylquinolin-5-yl)-4-methylbenzamide

N-(2,6-dimethylquinolin-5-yl)-4-methylbenzamide (PubChem CID 3301637) has the molecular formula C19H18N2O and a molecular weight of 290.37 g/mol. Its IUPAC name is N-(2,6-dimethylquinolin-5-yl)-4-methylbenzamide.

Molecular Properties

Compound NameN-(2,6-dimethylquinolin-5-yl)-4-methylbenzamide
PubChem CID3301637
Molecular FormulaC19H18N2O
Molecular Weight290.37 g/mol
Exact Mass290.14
IUPAC NameN-(2,6-dimethylquinolin-5-yl)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2c(C)ccc3nc(C)ccc23)cc1
InChIInChI=1S/C19H18N2O/c1-12-4-8-15(9-5-12)19(22)21-18-13(2)6-11-17-16(18)10-7-14(3)20-17/h4-11H,1-3H3,(H,21,22)
InChIKeyBPJKLLFPHUAACA-UHFFFAOYSA-N
XLogP4.41
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylquinolin-5-yl)-4-methylbenzamide?
The IUPAC name of N-(2,6-dimethylquinolin-5-yl)-4-methylbenzamide (CID 3301637) is N-(2,6-dimethylquinolin-5-yl)-4-methylbenzamide.
What is the SMILES notation for N-(2,6-dimethylquinolin-5-yl)-4-methylbenzamide?
The canonical SMILES for N-(2,6-dimethylquinolin-5-yl)-4-methylbenzamide is Cc1ccc(C(=O)Nc2c(C)ccc3nc(C)ccc23)cc1.
What is the InChIKey of N-(2,6-dimethylquinolin-5-yl)-4-methylbenzamide?
The InChIKey is BPJKLLFPHUAACA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O/c1-12-4-8-15(9-5-12)19(22)21-18-13(2)6-11-17-16(18)10-7-14(3)20-17/h4-11H,1-3H3,(H,21,22).
What are the key properties of N-(2,6-dimethylquinolin-5-yl)-4-methylbenzamide?
N-(2,6-dimethylquinolin-5-yl)-4-methylbenzamide has a molecular weight of 290.37 g/mol, XLogP of 4.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylquinolin-5-yl)-4-methylbenzamide is sourced from PubChem (CID 3301637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).