3-[[2-(dimethylamino)quinolin-4-yl]methylcarbamoyl-methylamino]propanoic acid

C17H22N4O3 — CID 122004546

IUPAC3-[[2-(dimethylamino)quinolin-4-yl]methylcarbamoyl-methylamino]propanoic acid
SMILESCN(CCC(=O)O)C(=O)NCc1cc(N(C)C)nc2ccccc12
InChIInChI=1S/C17H22N4O3/c1-20(2)15-10-12(13-6-4-5-7-14(13)19-15)11-18-17(24)21(3)9-8-16(22)23/h4-7,10H,8-9,11H2,1-3H3,(H,18,24)(H,22,23)
InChIKeyRZPOFDGGSLEUJT-UHFFFAOYSA-N
MW330.39 g/mol
LogP1.92
Rot. Bonds6

About 3-[[2-(dimethylamino)quinolin-4-yl]methylcarbamoyl-methylamino]propanoic acid

3-[[2-(dimethylamino)quinolin-4-yl]methylcarbamoyl-methylamino]propanoic acid (PubChem CID 122004546) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is 3-[[2-(dimethylamino)quinolin-4-yl]methylcarbamoyl-methylamino]propanoic acid.

Molecular Properties

Compound Name3-[[2-(dimethylamino)quinolin-4-yl]methylcarbamoyl-methylamino]propanoic acid
PubChem CID122004546
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name3-[[2-(dimethylamino)quinolin-4-yl]methylcarbamoyl-methylamino]propanoic acid
SMILESCN(CCC(=O)O)C(=O)NCc1cc(N(C)C)nc2ccccc12
InChIInChI=1S/C17H22N4O3/c1-20(2)15-10-12(13-6-4-5-7-14(13)19-15)11-18-17(24)21(3)9-8-16(22)23/h4-7,10H,8-9,11H2,1-3H3,(H,18,24)(H,22,23)
InChIKeyRZPOFDGGSLEUJT-UHFFFAOYSA-N
XLogP1.92
TPSA85.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[[2-(dimethylamino)quinolin-4-yl]methylcarbamoyl-methylamino]propanoic acid with MolForge

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Related Compounds

N-[[2-(dimethylamino)quinolin-4-yl]methyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 71869690
N-[[2-(dimethylamino)quinolin-4-yl]methyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 119139135
(2S,5R)-N-[[2-(dimethylamino)quinolin-4-yl]methyl]-5-ethyloxolane-2-carboxamide
CID 96539251
3-[(4-chloro-2-iodophenyl)methylcarbamoyl-methylamino]propanoic acid
CID 122012063
N-[[2-(dimethylamino)quinolin-4-yl]methyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 71867527
N-[[2-(dimethylamino)quinolin-4-yl]methyl]-3-(oxolan-2-yl)propanamide
CID 71989359
2-[[2-(dimethylamino)quinolin-4-yl]methylamino]-2-phenylacetamide
CID 71990803
1-[[2-(dimethylamino)quinolin-4-yl]methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122004545
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[2-(dimethylamino)quinolin-4-yl]methyl]acetamide;dihydrochloride
CID 119896545
(E)-N-[[2-(dimethylamino)quinolin-4-yl]methyl]-3-pyridin-3-ylprop-2-enamide
CID 75533968
4-[(cyclopropylamino)methyl]-N,N-dimethylquinolin-2-amine
CID 62279811
N-[[2-(dimethylamino)quinolin-4-yl]methyl]-2,3,4,5a,6,7,8,8a-octahydrocyclopenta[b][1,4]oxazepine-5-carboxamide
CID 167951101

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(dimethylamino)quinolin-4-yl]methylcarbamoyl-methylamino]propanoic acid?
The IUPAC name of 3-[[2-(dimethylamino)quinolin-4-yl]methylcarbamoyl-methylamino]propanoic acid (CID 122004546) is 3-[[2-(dimethylamino)quinolin-4-yl]methylcarbamoyl-methylamino]propanoic acid.
What is the SMILES notation for 3-[[2-(dimethylamino)quinolin-4-yl]methylcarbamoyl-methylamino]propanoic acid?
The canonical SMILES for 3-[[2-(dimethylamino)quinolin-4-yl]methylcarbamoyl-methylamino]propanoic acid is CN(CCC(=O)O)C(=O)NCc1cc(N(C)C)nc2ccccc12.
What is the InChIKey of 3-[[2-(dimethylamino)quinolin-4-yl]methylcarbamoyl-methylamino]propanoic acid?
The InChIKey is RZPOFDGGSLEUJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-20(2)15-10-12(13-6-4-5-7-14(13)19-15)11-18-17(24)21(3)9-8-16(22)23/h4-7,10H,8-9,11H2,1-3H3,(H,18,24)(H,22,23).
What are the key properties of 3-[[2-(dimethylamino)quinolin-4-yl]methylcarbamoyl-methylamino]propanoic acid?
3-[[2-(dimethylamino)quinolin-4-yl]methylcarbamoyl-methylamino]propanoic acid has a molecular weight of 330.39 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(dimethylamino)quinolin-4-yl]methylcarbamoyl-methylamino]propanoic acid is sourced from PubChem (CID 122004546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).