N-[[2-(dimethylamino)quinolin-4-yl]methyl]-3-(oxolan-2-yl)propanamide

C19H25N3O2 — CID 71989359

IUPACN-[[2-(dimethylamino)quinolin-4-yl]methyl]-3-(oxolan-2-yl)propanamide
SMILESCN(C)c1cc(CNC(=O)CCC2CCCO2)c2ccccc2n1
InChIInChI=1S/C19H25N3O2/c1-22(2)18-12-14(16-7-3-4-8-17(16)21-18)13-20-19(23)10-9-15-6-5-11-24-15/h3-4,7-8,12,15H,5-6,9-11,13H2,1-2H3,(H,20,23)
InChIKeyINYYXPSEPMJRMC-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.88
Rot. Bonds6

About N-[[2-(dimethylamino)quinolin-4-yl]methyl]-3-(oxolan-2-yl)propanamide

N-[[2-(dimethylamino)quinolin-4-yl]methyl]-3-(oxolan-2-yl)propanamide (PubChem CID 71989359) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is N-[[2-(dimethylamino)quinolin-4-yl]methyl]-3-(oxolan-2-yl)propanamide.

Molecular Properties

Compound NameN-[[2-(dimethylamino)quinolin-4-yl]methyl]-3-(oxolan-2-yl)propanamide
PubChem CID71989359
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC NameN-[[2-(dimethylamino)quinolin-4-yl]methyl]-3-(oxolan-2-yl)propanamide
SMILESCN(C)c1cc(CNC(=O)CCC2CCCO2)c2ccccc2n1
InChIInChI=1S/C19H25N3O2/c1-22(2)18-12-14(16-7-3-4-8-17(16)21-18)13-20-19(23)10-9-15-6-5-11-24-15/h3-4,7-8,12,15H,5-6,9-11,13H2,1-2H3,(H,20,23)
InChIKeyINYYXPSEPMJRMC-UHFFFAOYSA-N
XLogP2.88
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(dimethylamino)quinolin-4-yl]methyl]-2,3,4,5a,6,7,8,8a-octahydrocyclopenta[b][1,4]oxazepine-5-carboxamide
CID 167951101
N-[[2-(dimethylamino)quinolin-4-yl]methyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 71867527
N-[(4-hydroxyphenyl)methyl]-3-(oxan-2-yl)propanamide
CID 115621995
N-[[4-(benzimidazol-1-ylmethyl)phenyl]methyl]-3-[(2S)-oxolan-2-yl]propanamide
CID 52514252
N-[[2-(dimethylamino)quinolin-4-yl]methyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 71869690
3-(oxolan-2-yl)-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]propanamide
CID 71919174
N-[[3-(methylsulfamoyl)phenyl]methyl]-3-[(2S)-oxolan-2-yl]propanamide
CID 34685373
4-[2-(oxolan-2-yl)ethylamino]quinoline-2-carboxylic acid
CID 63377382
N-[(5-methylthiophen-2-yl)methyl]-3-[(2R)-oxolan-2-yl]propanamide
CID 94184404
3-[(2S)-oxolan-2-yl]-N-[(3R)-3-phenylbutyl]propanamide
CID 94821729
N-[[2-(dimethylamino)quinolin-4-yl]methyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 119139135
3-(2-methyl-4-oxoquinazolin-3-yl)-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 36994619

Frequently Asked Questions

What is the IUPAC name of N-[[2-(dimethylamino)quinolin-4-yl]methyl]-3-(oxolan-2-yl)propanamide?
The IUPAC name of N-[[2-(dimethylamino)quinolin-4-yl]methyl]-3-(oxolan-2-yl)propanamide (CID 71989359) is N-[[2-(dimethylamino)quinolin-4-yl]methyl]-3-(oxolan-2-yl)propanamide.
What is the SMILES notation for N-[[2-(dimethylamino)quinolin-4-yl]methyl]-3-(oxolan-2-yl)propanamide?
The canonical SMILES for N-[[2-(dimethylamino)quinolin-4-yl]methyl]-3-(oxolan-2-yl)propanamide is CN(C)c1cc(CNC(=O)CCC2CCCO2)c2ccccc2n1.
What is the InChIKey of N-[[2-(dimethylamino)quinolin-4-yl]methyl]-3-(oxolan-2-yl)propanamide?
The InChIKey is INYYXPSEPMJRMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-22(2)18-12-14(16-7-3-4-8-17(16)21-18)13-20-19(23)10-9-15-6-5-11-24-15/h3-4,7-8,12,15H,5-6,9-11,13H2,1-2H3,(H,20,23).
What are the key properties of N-[[2-(dimethylamino)quinolin-4-yl]methyl]-3-(oxolan-2-yl)propanamide?
N-[[2-(dimethylamino)quinolin-4-yl]methyl]-3-(oxolan-2-yl)propanamide has a molecular weight of 327.43 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(dimethylamino)quinolin-4-yl]methyl]-3-(oxolan-2-yl)propanamide is sourced from PubChem (CID 71989359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).