3-[2-[(2-ethylquinolin-4-yl)amino]ethyl]-N,N-dimethylbenzamide

C22H25N3O — CID 133402369

IUPAC3-[2-[(2-ethylquinolin-4-yl)amino]ethyl]-N,N-dimethylbenzamide
SMILESCCc1cc(NCCc2cccc(C(=O)N(C)C)c2)c2ccccc2n1
InChIInChI=1S/C22H25N3O/c1-4-18-15-21(19-10-5-6-11-20(19)24-18)23-13-12-16-8-7-9-17(14-16)22(26)25(2)3/h5-11,14-15H,4,12-13H2,1-3H3,(H,23,24)
InChIKeyLZDZSMLCEHRLTA-UHFFFAOYSA-N
MW347.46 g/mol
LogP4.15
Rot. Bonds6

About 3-[2-[(2-ethylquinolin-4-yl)amino]ethyl]-N,N-dimethylbenzamide

3-[2-[(2-ethylquinolin-4-yl)amino]ethyl]-N,N-dimethylbenzamide (PubChem CID 133402369) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is 3-[2-[(2-ethylquinolin-4-yl)amino]ethyl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[2-[(2-ethylquinolin-4-yl)amino]ethyl]-N,N-dimethylbenzamide
PubChem CID133402369
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC Name3-[2-[(2-ethylquinolin-4-yl)amino]ethyl]-N,N-dimethylbenzamide
SMILESCCc1cc(NCCc2cccc(C(=O)N(C)C)c2)c2ccccc2n1
InChIInChI=1S/C22H25N3O/c1-4-18-15-21(19-10-5-6-11-20(19)24-18)23-13-12-16-8-7-9-17(14-16)22(26)25(2)3/h5-11,14-15H,4,12-13H2,1-3H3,(H,23,24)
InChIKeyLZDZSMLCEHRLTA-UHFFFAOYSA-N
XLogP4.15
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-3-[2-[(8-methylquinolin-4-yl)amino]ethyl]benzamide
CID 133394459
3-[2-[(2-hydroxy-2-phenylacetyl)amino]ethyl]-N,N-dimethylbenzamide
CID 111540238
3-[2-[(N-benzyl-N'-methylcarbamimidoyl)amino]ethyl]-N,N-dimethylbenzamide
CID 111668254
2-[4-[2-(4-methoxyphenyl)ethylamino]quinolin-2-yl]acetic acid
CID 110432724
3-[2-[[N-ethyl-N'-(2-phenylethyl)carbamimidoyl]amino]ethyl]-N,N-dimethylbenzamide
CID 111669888
3-[(2-ethylanilino)methyl]-N,N-dimethylbenzamide
CID 84558207
N,N-dimethyl-3-[[(2-naphthalen-1-ylacetyl)amino]methyl]benzamide
CID 46424485
N-methyl-3-[2-[(8-methylquinolin-4-yl)amino]ethyl]benzamide
CID 133394287
3-[2-[[N-ethyl-N'-(2-phenylpropyl)carbamimidoyl]amino]ethyl]-N,N-dimethylbenzamide
CID 111669098
N-(2-methylpropyl)-2-[(2-propylquinolin-4-yl)amino]acetamide
CID 133405225
2-ethyl-N-[2-(4-methylpyrazol-1-yl)ethyl]quinolin-4-amine
CID 133401471
N-[3-[[(2-ethylquinolin-4-yl)amino]methyl]phenyl]oxolane-2-carboxamide
CID 133404937

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2-ethylquinolin-4-yl)amino]ethyl]-N,N-dimethylbenzamide?
The IUPAC name of 3-[2-[(2-ethylquinolin-4-yl)amino]ethyl]-N,N-dimethylbenzamide (CID 133402369) is 3-[2-[(2-ethylquinolin-4-yl)amino]ethyl]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[2-[(2-ethylquinolin-4-yl)amino]ethyl]-N,N-dimethylbenzamide?
The canonical SMILES for 3-[2-[(2-ethylquinolin-4-yl)amino]ethyl]-N,N-dimethylbenzamide is CCc1cc(NCCc2cccc(C(=O)N(C)C)c2)c2ccccc2n1.
What is the InChIKey of 3-[2-[(2-ethylquinolin-4-yl)amino]ethyl]-N,N-dimethylbenzamide?
The InChIKey is LZDZSMLCEHRLTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O/c1-4-18-15-21(19-10-5-6-11-20(19)24-18)23-13-12-16-8-7-9-17(14-16)22(26)25(2)3/h5-11,14-15H,4,12-13H2,1-3H3,(H,23,24).
What are the key properties of 3-[2-[(2-ethylquinolin-4-yl)amino]ethyl]-N,N-dimethylbenzamide?
3-[2-[(2-ethylquinolin-4-yl)amino]ethyl]-N,N-dimethylbenzamide has a molecular weight of 347.46 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2-ethylquinolin-4-yl)amino]ethyl]-N,N-dimethylbenzamide is sourced from PubChem (CID 133402369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).