benzyl-[2-[[2-(dimethylamino)quinolin-4-yl]amino]-2-oxoethyl]-methylazanium

C21H25N4O+ — CID 3650696

IUPACbenzyl-[2-[[2-(dimethylamino)quinolin-4-yl]amino]-2-oxoethyl]-methylazanium
SMILESCN(C)c1cc(NC(=O)C[NH+](C)Cc2ccccc2)c2ccccc2n1
InChIInChI=1S/C21H24N4O/c1-24(2)20-13-19(17-11-7-8-12-18(17)22-20)23-21(26)15-25(3)14-16-9-5-4-6-10-16/h4-13H,14-15H2,1-3H3,(H,22,23,26)/p+1
InChIKeyDUHOHLLLGJRMJH-UHFFFAOYSA-O
MW349.46 g/mol
LogP1.95
Rot. Bonds6

About benzyl-[2-[[2-(dimethylamino)quinolin-4-yl]amino]-2-oxoethyl]-methylazanium

benzyl-[2-[[2-(dimethylamino)quinolin-4-yl]amino]-2-oxoethyl]-methylazanium (PubChem CID 3650696) has the molecular formula C21H25N4O+ and a molecular weight of 349.46 g/mol. Its IUPAC name is benzyl-[2-[[2-(dimethylamino)quinolin-4-yl]amino]-2-oxoethyl]-methylazanium.

Molecular Properties

Compound Namebenzyl-[2-[[2-(dimethylamino)quinolin-4-yl]amino]-2-oxoethyl]-methylazanium
PubChem CID3650696
Molecular FormulaC21H25N4O+
Molecular Weight349.46 g/mol
Exact Mass349.20
IUPAC Namebenzyl-[2-[[2-(dimethylamino)quinolin-4-yl]amino]-2-oxoethyl]-methylazanium
SMILESCN(C)c1cc(NC(=O)C[NH+](C)Cc2ccccc2)c2ccccc2n1
InChIInChI=1S/C21H24N4O/c1-24(2)20-13-19(17-11-7-8-12-18(17)22-20)23-21(26)15-25(3)14-16-9-5-4-6-10-16/h4-13H,14-15H2,1-3H3,(H,22,23,26)/p+1
InChIKeyDUHOHLLLGJRMJH-UHFFFAOYSA-O
XLogP1.95
TPSA49.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl-methyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]azanium
CID 8901087
N-[2-(dimethylamino)quinolin-4-yl]-2-(1-phenylpropan-2-ylamino)acetamide;oxalic acid
CID 16682709
N-[2-(dimethylamino)quinolin-4-yl]decanamide
CID 5168839
(2-anilino-2-oxoethyl)-benzyl-methylazanium
CID 8901163
benzyl-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-methylazanium
CID 2412166
2-N,2-N,4-N-trimethylquinoline-2,4-diamine
CID 14338127
[2-(2-benzylanilino)-2-oxoethyl]-methyl-[(4-methylphenyl)methyl]azanium
CID 2082606
[4-[[2-(diethylazaniumyl)acetyl]amino]quinolin-2-yl]-dimethylazanium
CID 3465625
[2-(benzylamino)-2-oxoethyl]-[(4-methoxyphenyl)methyl]-methylazanium
CID 8761467
benzyl-[2-(5-chloro-2-nitroanilino)-2-oxoethyl]-methylazanium
CID 8901362
2-(dimethylamino)-N-ethylquinoline-4-carboxamide
CID 53016631
1,3-benzothiazol-2-ylmethyl-methyl-[2-(2-methylanilino)-2-oxoethyl]azanium
CID 8801475

Frequently Asked Questions

What is the IUPAC name of benzyl-[2-[[2-(dimethylamino)quinolin-4-yl]amino]-2-oxoethyl]-methylazanium?
The IUPAC name of benzyl-[2-[[2-(dimethylamino)quinolin-4-yl]amino]-2-oxoethyl]-methylazanium (CID 3650696) is benzyl-[2-[[2-(dimethylamino)quinolin-4-yl]amino]-2-oxoethyl]-methylazanium.
What is the SMILES notation for benzyl-[2-[[2-(dimethylamino)quinolin-4-yl]amino]-2-oxoethyl]-methylazanium?
The canonical SMILES for benzyl-[2-[[2-(dimethylamino)quinolin-4-yl]amino]-2-oxoethyl]-methylazanium is CN(C)c1cc(NC(=O)C[NH+](C)Cc2ccccc2)c2ccccc2n1.
What is the InChIKey of benzyl-[2-[[2-(dimethylamino)quinolin-4-yl]amino]-2-oxoethyl]-methylazanium?
The InChIKey is DUHOHLLLGJRMJH-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H24N4O/c1-24(2)20-13-19(17-11-7-8-12-18(17)22-20)23-21(26)15-25(3)14-16-9-5-4-6-10-16/h4-13H,14-15H2,1-3H3,(H,22,23,26)/p+1.
What are the key properties of benzyl-[2-[[2-(dimethylamino)quinolin-4-yl]amino]-2-oxoethyl]-methylazanium?
benzyl-[2-[[2-(dimethylamino)quinolin-4-yl]amino]-2-oxoethyl]-methylazanium has a molecular weight of 349.46 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-[2-[[2-(dimethylamino)quinolin-4-yl]amino]-2-oxoethyl]-methylazanium is sourced from PubChem (CID 3650696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).