3-benzamido-4-methyl-N-(2-quinolin-8-ylethyl)benzamide

C26H23N3O2 — CID 39316228

IUPAC3-benzamido-4-methyl-N-(2-quinolin-8-ylethyl)benzamide
SMILESCc1ccc(C(=O)NCCc2cccc3cccnc23)cc1NC(=O)c1ccccc1
InChIInChI=1S/C26H23N3O2/c1-18-12-13-22(17-23(18)29-26(31)21-7-3-2-4-8-21)25(30)28-16-14-20-10-5-9-19-11-6-15-27-24(19)20/h2-13,15,17H,14,16H2,1H3,(H,28,30)(H,29,31)
InChIKeyQIMVVZLQJUVWSJ-UHFFFAOYSA-N
MW409.49 g/mol
LogP4.77
Rot. Bonds6

About 3-benzamido-4-methyl-N-(2-quinolin-8-ylethyl)benzamide

3-benzamido-4-methyl-N-(2-quinolin-8-ylethyl)benzamide (PubChem CID 39316228) has the molecular formula C26H23N3O2 and a molecular weight of 409.49 g/mol. Its IUPAC name is 3-benzamido-4-methyl-N-(2-quinolin-8-ylethyl)benzamide.

Molecular Properties

Compound Name3-benzamido-4-methyl-N-(2-quinolin-8-ylethyl)benzamide
PubChem CID39316228
Molecular FormulaC26H23N3O2
Molecular Weight409.49 g/mol
Exact Mass409.18
IUPAC Name3-benzamido-4-methyl-N-(2-quinolin-8-ylethyl)benzamide
SMILESCc1ccc(C(=O)NCCc2cccc3cccnc23)cc1NC(=O)c1ccccc1
InChIInChI=1S/C26H23N3O2/c1-18-12-13-22(17-23(18)29-26(31)21-7-3-2-4-8-21)25(30)28-16-14-20-10-5-9-19-11-6-15-27-24(19)20/h2-13,15,17H,14,16H2,1H3,(H,28,30)(H,29,31)
InChIKeyQIMVVZLQJUVWSJ-UHFFFAOYSA-N
XLogP4.77
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-N-(2-quinolin-8-ylethyl)benzamide
CID 18149251
N-[2-methyl-5-(2-methylpropylcarbamoyl)phenyl]quinoline-8-carboxamide
CID 131951730
3-benzamido-4-methyl-N-pentylbenzamide
CID 17226355
N-(3-benzamido-4-methylphenyl)quinoline-7-carboxamide
CID 58842913
1-methyl-N-(2-quinolin-8-ylethyl)pyrazole-4-carboxamide
CID 18149355
3-benzamido-N-[2-(2-methoxyethoxy)-3-pyridinyl]-4-methylbenzamide
CID 56500125
2-methyl-5-methylsulfonyl-N-(2-quinolin-8-ylethyl)benzamide
CID 18144324
3-benzamido-4-methyl-N-[2-(2-phenylethylcarbamoyl)phenyl]benzamide
CID 46410067
3,5-dimethyl-1-phenyl-N-(2-quinolin-8-ylethyl)pyrazole-4-carboxamide
CID 36645347
methyl N-(2-quinolin-8-ylethyl)carbamate
CID 115577084
2-naphthalen-2-yl-N-(2-quinolin-8-ylethyl)acetamide
CID 51112165
3-(dimethylsulfamoyl)-4-methoxy-N-(2-quinolin-8-ylethyl)benzamide
CID 46443053

Frequently Asked Questions

What is the IUPAC name of 3-benzamido-4-methyl-N-(2-quinolin-8-ylethyl)benzamide?
The IUPAC name of 3-benzamido-4-methyl-N-(2-quinolin-8-ylethyl)benzamide (CID 39316228) is 3-benzamido-4-methyl-N-(2-quinolin-8-ylethyl)benzamide.
What is the SMILES notation for 3-benzamido-4-methyl-N-(2-quinolin-8-ylethyl)benzamide?
The canonical SMILES for 3-benzamido-4-methyl-N-(2-quinolin-8-ylethyl)benzamide is Cc1ccc(C(=O)NCCc2cccc3cccnc23)cc1NC(=O)c1ccccc1.
What is the InChIKey of 3-benzamido-4-methyl-N-(2-quinolin-8-ylethyl)benzamide?
The InChIKey is QIMVVZLQJUVWSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O2/c1-18-12-13-22(17-23(18)29-26(31)21-7-3-2-4-8-21)25(30)28-16-14-20-10-5-9-19-11-6-15-27-24(19)20/h2-13,15,17H,14,16H2,1H3,(H,28,30)(H,29,31).
What are the key properties of 3-benzamido-4-methyl-N-(2-quinolin-8-ylethyl)benzamide?
3-benzamido-4-methyl-N-(2-quinolin-8-ylethyl)benzamide has a molecular weight of 409.49 g/mol, XLogP of 4.77, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzamido-4-methyl-N-(2-quinolin-8-ylethyl)benzamide is sourced from PubChem (CID 39316228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).