N-[2-(dimethylamino)quinolin-4-yl]decanamide

C21H31N3O — CID 5168839

IUPACN-[2-(dimethylamino)quinolin-4-yl]decanamide
SMILESCCCCCCCCCC(=O)Nc1cc(N(C)C)nc2ccccc12
InChIInChI=1S/C21H31N3O/c1-4-5-6-7-8-9-10-15-21(25)23-19-16-20(24(2)3)22-18-14-12-11-13-17(18)19/h11-14,16H,4-10,15H2,1-3H3,(H,22,23,25)
InChIKeyHTMLTJVZAKTDCV-UHFFFAOYSA-N
MW341.50 g/mol
LogP5.38
Rot. Bonds10

About N-[2-(dimethylamino)quinolin-4-yl]decanamide

N-[2-(dimethylamino)quinolin-4-yl]decanamide (PubChem CID 5168839) has the molecular formula C21H31N3O and a molecular weight of 341.50 g/mol. Its IUPAC name is N-[2-(dimethylamino)quinolin-4-yl]decanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)quinolin-4-yl]decanamide
PubChem CID5168839
Molecular FormulaC21H31N3O
Molecular Weight341.50 g/mol
Exact Mass341.25
IUPAC NameN-[2-(dimethylamino)quinolin-4-yl]decanamide
SMILESCCCCCCCCCC(=O)Nc1cc(N(C)C)nc2ccccc12
InChIInChI=1S/C21H31N3O/c1-4-5-6-7-8-9-10-15-21(25)23-19-16-20(24(2)3)22-18-14-12-11-13-17(18)19/h11-14,16H,4-10,15H2,1-3H3,(H,22,23,25)
InChIKeyHTMLTJVZAKTDCV-UHFFFAOYSA-N
XLogP5.38
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.50
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-naphthalen-1-yldodecanamide
CID 588517
benzyl-[2-[[2-(dimethylamino)quinolin-4-yl]amino]-2-oxoethyl]-methylazanium
CID 3650696
N-(4-dodecyl-3-methoxyphenazin-2-yl)dodecanamide
CID 71373326
N-[2-(dimethylamino)quinolin-4-yl]-2-(1-phenylpropan-2-ylamino)acetamide;oxalic acid
CID 16682709
2-(dimethylamino)-N-ethylquinoline-4-carboxamide
CID 53016631
N-(2-hydroxy-5-phenylphenyl)octanamide
CID 155558351
6-(aminosulfanylamino)-N-(2-methylquinolin-4-yl)hexanamide
CID 143593067
bis[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;dodecanoyl chloride;2-methylquinolin-4-amine;N-(2-methylquinolin-4-yl)dodecanamide
CID 161051819
N-phenylpentacosanamide
CID 19025260
2-N,2-N,4-N-trimethylquinoline-2,4-diamine
CID 14338127
N-phenylheptatetracontanamide
CID 150503307
2-(hexacosanoylamino)benzoic acid
CID 123304158

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)quinolin-4-yl]decanamide?
The IUPAC name of N-[2-(dimethylamino)quinolin-4-yl]decanamide (CID 5168839) is N-[2-(dimethylamino)quinolin-4-yl]decanamide.
What is the SMILES notation for N-[2-(dimethylamino)quinolin-4-yl]decanamide?
The canonical SMILES for N-[2-(dimethylamino)quinolin-4-yl]decanamide is CCCCCCCCCC(=O)Nc1cc(N(C)C)nc2ccccc12.
What is the InChIKey of N-[2-(dimethylamino)quinolin-4-yl]decanamide?
The InChIKey is HTMLTJVZAKTDCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O/c1-4-5-6-7-8-9-10-15-21(25)23-19-16-20(24(2)3)22-18-14-12-11-13-17(18)19/h11-14,16H,4-10,15H2,1-3H3,(H,22,23,25).
What are the key properties of N-[2-(dimethylamino)quinolin-4-yl]decanamide?
N-[2-(dimethylamino)quinolin-4-yl]decanamide has a molecular weight of 341.50 g/mol, XLogP of 5.38, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)quinolin-4-yl]decanamide is sourced from PubChem (CID 5168839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).