[4-[[2-(diethylazaniumyl)acetyl]amino]quinolin-2-yl]-dimethylazanium

C17H26N4O+2 — CID 3465625

IUPAC[4-[[2-(diethylazaniumyl)acetyl]amino]quinolin-2-yl]-dimethylazanium
SMILESCC[NH+](CC)CC(=O)Nc1cc([NH+](C)C)nc2ccccc12
InChIInChI=1S/C17H24N4O/c1-5-21(6-2)12-17(22)19-15-11-16(20(3)4)18-14-10-8-7-9-13(14)15/h7-11H,5-6,12H2,1-4H3,(H,18,19,22)/p+2
InChIKeyAIRTUKCRWWAWJD-UHFFFAOYSA-P
MW302.42 g/mol
LogP-0.13
Rot. Bonds6

About [4-[[2-(diethylazaniumyl)acetyl]amino]quinolin-2-yl]-dimethylazanium

[4-[[2-(diethylazaniumyl)acetyl]amino]quinolin-2-yl]-dimethylazanium (PubChem CID 3465625) has the molecular formula C17H26N4O+2 and a molecular weight of 302.42 g/mol. Its IUPAC name is [4-[[2-(diethylazaniumyl)acetyl]amino]quinolin-2-yl]-dimethylazanium.

Molecular Properties

Compound Name[4-[[2-(diethylazaniumyl)acetyl]amino]quinolin-2-yl]-dimethylazanium
PubChem CID3465625
Molecular FormulaC17H26N4O+2
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC Name[4-[[2-(diethylazaniumyl)acetyl]amino]quinolin-2-yl]-dimethylazanium
SMILESCC[NH+](CC)CC(=O)Nc1cc([NH+](C)C)nc2ccccc12
InChIInChI=1S/C17H24N4O/c1-5-21(6-2)12-17(22)19-15-11-16(20(3)4)18-14-10-8-7-9-13(14)15/h7-11H,5-6,12H2,1-4H3,(H,18,19,22)/p+2
InChIKeyAIRTUKCRWWAWJD-UHFFFAOYSA-P
XLogP-0.13
TPSA50.87 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-ylamino)-2-oxoethyl]-diethylazanium
CID 7046168
benzyl-[2-[[2-(dimethylamino)quinolin-4-yl]amino]-2-oxoethyl]-methylazanium
CID 3650696
ethyl-[2-(2-ethylanilino)-2-oxoethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
CID 135808183
diethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium
CID 7447498
[2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]azanium
CID 2470771
3-(ethylamino)-N-(2-methylquinolin-4-yl)propanamide
CID 62833896
[2-(2-benzoyl-4-chloroanilino)-2-oxoethyl]-diethylazanium
CID 5113102
ethyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium
CID 2580437
[2-(5-chloro-2-cyanoanilino)-2-oxoethyl]-ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
CID 135808343
benzyl-[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-ethylazanium
CID 8541403
N-[2-(dimethylamino)quinolin-4-yl]decanamide
CID 5168839
benzyl-[2-(2,5-dimethylanilino)-2-oxoethyl]-ethylazanium
CID 8541334

Frequently Asked Questions

What is the IUPAC name of [4-[[2-(diethylazaniumyl)acetyl]amino]quinolin-2-yl]-dimethylazanium?
The IUPAC name of [4-[[2-(diethylazaniumyl)acetyl]amino]quinolin-2-yl]-dimethylazanium (CID 3465625) is [4-[[2-(diethylazaniumyl)acetyl]amino]quinolin-2-yl]-dimethylazanium.
What is the SMILES notation for [4-[[2-(diethylazaniumyl)acetyl]amino]quinolin-2-yl]-dimethylazanium?
The canonical SMILES for [4-[[2-(diethylazaniumyl)acetyl]amino]quinolin-2-yl]-dimethylazanium is CC[NH+](CC)CC(=O)Nc1cc([NH+](C)C)nc2ccccc12.
What is the InChIKey of [4-[[2-(diethylazaniumyl)acetyl]amino]quinolin-2-yl]-dimethylazanium?
The InChIKey is AIRTUKCRWWAWJD-UHFFFAOYSA-P. The full InChI is InChI=1S/C17H24N4O/c1-5-21(6-2)12-17(22)19-15-11-16(20(3)4)18-14-10-8-7-9-13(14)15/h7-11H,5-6,12H2,1-4H3,(H,18,19,22)/p+2.
What are the key properties of [4-[[2-(diethylazaniumyl)acetyl]amino]quinolin-2-yl]-dimethylazanium?
[4-[[2-(diethylazaniumyl)acetyl]amino]quinolin-2-yl]-dimethylazanium has a molecular weight of 302.42 g/mol, XLogP of -0.13, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[2-(diethylazaniumyl)acetyl]amino]quinolin-2-yl]-dimethylazanium is sourced from PubChem (CID 3465625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).