N-methyl-3-[2-[(8-methylquinolin-4-yl)amino]ethyl]benzamide

C20H21N3O — CID 133394287

IUPACN-methyl-3-[2-[(8-methylquinolin-4-yl)amino]ethyl]benzamide
SMILESCNC(=O)c1cccc(CCNc2ccnc3c(C)cccc23)c1
InChIInChI=1S/C20H21N3O/c1-14-5-3-8-17-18(10-12-23-19(14)17)22-11-9-15-6-4-7-16(13-15)20(24)21-2/h3-8,10,12-13H,9,11H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyIZZJJTWGZLXFBF-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.56
Rot. Bonds5

About N-methyl-3-[2-[(8-methylquinolin-4-yl)amino]ethyl]benzamide

N-methyl-3-[2-[(8-methylquinolin-4-yl)amino]ethyl]benzamide (PubChem CID 133394287) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is N-methyl-3-[2-[(8-methylquinolin-4-yl)amino]ethyl]benzamide.

Molecular Properties

Compound NameN-methyl-3-[2-[(8-methylquinolin-4-yl)amino]ethyl]benzamide
PubChem CID133394287
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC NameN-methyl-3-[2-[(8-methylquinolin-4-yl)amino]ethyl]benzamide
SMILESCNC(=O)c1cccc(CCNc2ccnc3c(C)cccc23)c1
InChIInChI=1S/C20H21N3O/c1-14-5-3-8-17-18(10-12-23-19(14)17)22-11-9-15-6-4-7-16(13-15)20(24)21-2/h3-8,10,12-13H,9,11H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyIZZJJTWGZLXFBF-UHFFFAOYSA-N
XLogP3.56
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-3-[2-[(8-methylquinolin-4-yl)amino]ethyl]benzamide
CID 133394459
8-methyl-N-[2-(6-methyl-3-pyridinyl)ethyl]quinolin-4-amine
CID 133388769
8-methyl-N-[2-(4-methylsulfonylphenyl)ethyl]quinolin-4-amine
CID 133394536
6-chloro-3-[2-[3-(methylcarbamoyl)phenyl]ethylamino]pyridazine-4-carboxamide
CID 133340689
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-8-methylquinolin-4-amine
CID 133369314
3-(aminomethyl)-N-methylbenzamide;ethane
CID 143416429
3-[2-[(2-ethylquinolin-4-yl)amino]ethyl]-N,N-dimethylbenzamide
CID 133402369
3-ethyl-N-methylbenzamide
CID 59115297
2-[ethyl-[2-[(8-methylquinolin-4-yl)amino]ethyl]amino]ethanol
CID 133480173
3-amino-N-[[3-(methylcarbamoyl)phenyl]methyl]pyrazine-2-carboxamide
CID 32916582
N-methyl-3-[[(2-pyridin-3-yloxyacetyl)amino]methyl]benzamide
CID 91828637
4-N-[2-(3-methylphenyl)ethyl]quinoline-4,7-diamine
CID 103001025

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[2-[(8-methylquinolin-4-yl)amino]ethyl]benzamide?
The IUPAC name of N-methyl-3-[2-[(8-methylquinolin-4-yl)amino]ethyl]benzamide (CID 133394287) is N-methyl-3-[2-[(8-methylquinolin-4-yl)amino]ethyl]benzamide.
What is the SMILES notation for N-methyl-3-[2-[(8-methylquinolin-4-yl)amino]ethyl]benzamide?
The canonical SMILES for N-methyl-3-[2-[(8-methylquinolin-4-yl)amino]ethyl]benzamide is CNC(=O)c1cccc(CCNc2ccnc3c(C)cccc23)c1.
What is the InChIKey of N-methyl-3-[2-[(8-methylquinolin-4-yl)amino]ethyl]benzamide?
The InChIKey is IZZJJTWGZLXFBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c1-14-5-3-8-17-18(10-12-23-19(14)17)22-11-9-15-6-4-7-16(13-15)20(24)21-2/h3-8,10,12-13H,9,11H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of N-methyl-3-[2-[(8-methylquinolin-4-yl)amino]ethyl]benzamide?
N-methyl-3-[2-[(8-methylquinolin-4-yl)amino]ethyl]benzamide has a molecular weight of 319.41 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[2-[(8-methylquinolin-4-yl)amino]ethyl]benzamide is sourced from PubChem (CID 133394287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).