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

C21H23N3O — CID 133394459

IUPACN,N-dimethyl-3-[2-[(8-methylquinolin-4-yl)amino]ethyl]benzamide
SMILESCc1cccc2c(NCCc3cccc(C(=O)N(C)C)c3)ccnc12
InChIInChI=1S/C21H23N3O/c1-15-6-4-9-18-19(11-13-23-20(15)18)22-12-10-16-7-5-8-17(14-16)21(25)24(2)3/h4-9,11,13-14H,10,12H2,1-3H3,(H,22,23)
InChIKeyOSNLLSOQXLHTQC-UHFFFAOYSA-N
MW333.44 g/mol
LogP3.90
Rot. Bonds5

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

N,N-dimethyl-3-[2-[(8-methylquinolin-4-yl)amino]ethyl]benzamide (PubChem CID 133394459) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is N,N-dimethyl-3-[2-[(8-methylquinolin-4-yl)amino]ethyl]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[2-[(8-methylquinolin-4-yl)amino]ethyl]benzamide
PubChem CID133394459
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC NameN,N-dimethyl-3-[2-[(8-methylquinolin-4-yl)amino]ethyl]benzamide
SMILESCc1cccc2c(NCCc3cccc(C(=O)N(C)C)c3)ccnc12
InChIInChI=1S/C21H23N3O/c1-15-6-4-9-18-19(11-13-23-20(15)18)22-12-10-16-7-5-8-17(14-16)21(25)24(2)3/h4-9,11,13-14H,10,12H2,1-3H3,(H,22,23)
InChIKeyOSNLLSOQXLHTQC-UHFFFAOYSA-N
XLogP3.90
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-3-[2-[(8-methylquinolin-4-yl)amino]ethyl]benzamide
CID 133394287
3-[2-[(2-ethylquinolin-4-yl)amino]ethyl]-N,N-dimethylbenzamide
CID 133402369
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
N,N-dimethyl-3-[2-[[N'-methyl-N-[2-methyl-2-(2-methylphenyl)propyl]carbamimidoyl]amino]ethyl]benzamide
CID 111668122
N-methyl-N-[4-[[(8-methylquinolin-4-yl)amino]methyl]phenyl]methanesulfonamide
CID 133388801
N,N-dimethyl-3-[2-[[N'-methyl-N-[2-methyl-2-(2-methylphenyl)propyl]carbamimidoyl]amino]ethyl]benzamide;hydroiodide
CID 111668121
3-[2-[[N-[[2-(dimethylamino)-4-pyridinyl]methyl]-N'-methylcarbamimidoyl]amino]ethyl]-N,N-dimethylbenzamide
CID 111670686
N,N-diethyl-2-[(8-methylquinolin-4-yl)amino]ethanesulfonamide
CID 133388578
3-[2-[(2-hydroxy-2-phenylacetyl)amino]ethyl]-N,N-dimethylbenzamide
CID 111540238
N,N-dimethyl-3-[2-[[N'-methyl-N-(pyridin-2-ylmethyl)carbamimidoyl]amino]ethyl]benzamide
CID 111668260
N,N-dimethyl-3-[2-[[N'-methyl-N-(quinolin-8-ylmethyl)carbamimidoyl]amino]ethyl]benzamide
CID 111670774

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[2-[(8-methylquinolin-4-yl)amino]ethyl]benzamide?
The IUPAC name of N,N-dimethyl-3-[2-[(8-methylquinolin-4-yl)amino]ethyl]benzamide (CID 133394459) is N,N-dimethyl-3-[2-[(8-methylquinolin-4-yl)amino]ethyl]benzamide.
What is the SMILES notation for N,N-dimethyl-3-[2-[(8-methylquinolin-4-yl)amino]ethyl]benzamide?
The canonical SMILES for N,N-dimethyl-3-[2-[(8-methylquinolin-4-yl)amino]ethyl]benzamide is Cc1cccc2c(NCCc3cccc(C(=O)N(C)C)c3)ccnc12.
What is the InChIKey of N,N-dimethyl-3-[2-[(8-methylquinolin-4-yl)amino]ethyl]benzamide?
The InChIKey is OSNLLSOQXLHTQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O/c1-15-6-4-9-18-19(11-13-23-20(15)18)22-12-10-16-7-5-8-17(14-16)21(25)24(2)3/h4-9,11,13-14H,10,12H2,1-3H3,(H,22,23).
What are the key properties of N,N-dimethyl-3-[2-[(8-methylquinolin-4-yl)amino]ethyl]benzamide?
N,N-dimethyl-3-[2-[(8-methylquinolin-4-yl)amino]ethyl]benzamide has a molecular weight of 333.44 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[2-[(8-methylquinolin-4-yl)amino]ethyl]benzamide is sourced from PubChem (CID 133394459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).