N-[[2-(dimethylamino)quinolin-4-yl]methyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide

C18H24N4O2 — CID 71867527

IUPACN-[[2-(dimethylamino)quinolin-4-yl]methyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
SMILESCN(C)c1cc(CNC(=O)N2CCCC2CO)c2ccccc2n1
InChIInChI=1S/C18H24N4O2/c1-21(2)17-10-13(15-7-3-4-8-16(15)20-17)11-19-18(24)22-9-5-6-14(22)12-23/h3-4,7-8,10,14,23H,5-6,9,11-12H2,1-2H3,(H,19,24)
InChIKeyCONYTINVALZGEV-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.97
Rot. Bonds4

About N-[[2-(dimethylamino)quinolin-4-yl]methyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide

N-[[2-(dimethylamino)quinolin-4-yl]methyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide (PubChem CID 71867527) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is N-[[2-(dimethylamino)quinolin-4-yl]methyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[[2-(dimethylamino)quinolin-4-yl]methyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
PubChem CID71867527
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC NameN-[[2-(dimethylamino)quinolin-4-yl]methyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
SMILESCN(C)c1cc(CNC(=O)N2CCCC2CO)c2ccccc2n1
InChIInChI=1S/C18H24N4O2/c1-21(2)17-10-13(15-7-3-4-8-16(15)20-17)11-19-18(24)22-9-5-6-14(22)12-23/h3-4,7-8,10,14,23H,5-6,9,11-12H2,1-2H3,(H,19,24)
InChIKeyCONYTINVALZGEV-UHFFFAOYSA-N
XLogP1.97
TPSA68.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.97
H-Bond Donors ≤ 52
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
[2-(dimethylamino)quinolin-4-yl]-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 99698521
1-[[2-(dimethylamino)quinolin-4-yl]methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122004545
(2R)-N-[[4-(dimethylamino)phenyl]methyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 110909640
N-[[2-(dimethylamino)quinolin-4-yl]methyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 119139135
N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111619164
3-[[2-(dimethylamino)quinolin-4-yl]methylcarbamoyl-methylamino]propanoic acid
CID 122004546
(2S,5R)-N-[[2-(dimethylamino)quinolin-4-yl]methyl]-5-ethyloxolane-2-carboxamide
CID 96539251
N-[[2-(dimethylamino)quinolin-4-yl]methyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 71869690
N-[[2-(dimethylamino)quinolin-4-yl]methyl]-3-(oxolan-2-yl)propanamide
CID 71989359
[2-(hydroxymethyl)pyrrolidin-1-yl]-[2-(methylamino)quinolin-4-yl]methanone
CID 62173431
(2S)-2-(hydroxymethyl)-N-[(4-methoxyphenyl)methyl]pyrrolidine-1-carboxamide
CID 111427679

Frequently Asked Questions

What is the IUPAC name of N-[[2-(dimethylamino)quinolin-4-yl]methyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-[[2-(dimethylamino)quinolin-4-yl]methyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide (CID 71867527) is N-[[2-(dimethylamino)quinolin-4-yl]methyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[[2-(dimethylamino)quinolin-4-yl]methyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-[[2-(dimethylamino)quinolin-4-yl]methyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide is CN(C)c1cc(CNC(=O)N2CCCC2CO)c2ccccc2n1.
What is the InChIKey of N-[[2-(dimethylamino)quinolin-4-yl]methyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide?
The InChIKey is CONYTINVALZGEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-21(2)17-10-13(15-7-3-4-8-16(15)20-17)11-19-18(24)22-9-5-6-14(22)12-23/h3-4,7-8,10,14,23H,5-6,9,11-12H2,1-2H3,(H,19,24).
What are the key properties of N-[[2-(dimethylamino)quinolin-4-yl]methyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide?
N-[[2-(dimethylamino)quinolin-4-yl]methyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(dimethylamino)quinolin-4-yl]methyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 71867527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).