[2-[(3-ethyl-2-propylquinolin-4-yl)amino]-2-oxoethyl]-dipentylazanium

C26H42N3O+ — CID 7300204

IUPAC[2-[(3-ethyl-2-propylquinolin-4-yl)amino]-2-oxoethyl]-dipentylazanium
SMILESCCCCC[NH+](CCCCC)CC(=O)Nc1c(CC)c(CCC)nc2ccccc12
InChIInChI=1S/C26H41N3O/c1-5-9-13-18-29(19-14-10-6-2)20-25(30)28-26-21(8-4)23(15-7-3)27-24-17-12-11-16-22(24)26/h11-12,16-17H,5-10,13-15,18-20H2,1-4H3,(H,27,28,30)/p+1
InChIKeyIRTWANIQVXCLHV-UHFFFAOYSA-O
MW412.64 g/mol
LogP4.95
Rot. Bonds14

About [2-[(3-ethyl-2-propylquinolin-4-yl)amino]-2-oxoethyl]-dipentylazanium

[2-[(3-ethyl-2-propylquinolin-4-yl)amino]-2-oxoethyl]-dipentylazanium (PubChem CID 7300204) has the molecular formula C26H42N3O+ and a molecular weight of 412.64 g/mol. Its IUPAC name is [2-[(3-ethyl-2-propylquinolin-4-yl)amino]-2-oxoethyl]-dipentylazanium.

Molecular Properties

Compound Name[2-[(3-ethyl-2-propylquinolin-4-yl)amino]-2-oxoethyl]-dipentylazanium
PubChem CID7300204
Molecular FormulaC26H42N3O+
Molecular Weight412.64 g/mol
Exact Mass412.33
IUPAC Name[2-[(3-ethyl-2-propylquinolin-4-yl)amino]-2-oxoethyl]-dipentylazanium
SMILESCCCCC[NH+](CCCCC)CC(=O)Nc1c(CC)c(CCC)nc2ccccc12
InChIInChI=1S/C26H41N3O/c1-5-9-13-18-29(19-14-10-6-2)20-25(30)28-26-21(8-4)23(15-7-3)27-24-17-12-11-16-22(24)26/h11-12,16-17H,5-10,13-15,18-20H2,1-4H3,(H,27,28,30)/p+1
InChIKeyIRTWANIQVXCLHV-UHFFFAOYSA-O
XLogP4.95
TPSA46.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.64
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze [2-[(3-ethyl-2-propylquinolin-4-yl)amino]-2-oxoethyl]-dipentylazanium with MolForge

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Related Compounds

tert-butyl-[2-[(3-ethyl-2-propylquinolin-4-yl)amino]-2-oxoethyl]azanium
CID 4000586
[2-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-ylamino)-2-oxoethyl]-dipentylazanium;2-hydroxy-2-oxoacetate
CID 44659981
N-(3-ethyl-2-propylquinolin-4-yl)-2-(4-phenylpiperazine-1,4-diium-1-yl)acetamide
CID 3585973
N-(2-ethyl-3-methylquinolin-4-yl)butanamide
CID 787490
[2-(2-bromoanilino)-2-oxoethyl] 3-ethyl-2-propylquinoline-4-carboxylate
CID 23770399
[2-(2,3-dihydro-1H-cyclopenta[b]quinolin-9-ylamino)-2-oxoethyl]-diethylazanium
CID 7046168
9-butylacridine
CID 606127
4-chloro-2,3-didecylquinoline
CID 141080010
[2-(ethylcarbamoylamino)-2-oxoethyl] 3-ethyl-2-propylquinoline-4-carboxylate
CID 2632086
N-(1,2,3,4-tetrahydroacridin-9-yl)pentanamide
CID 14880986
butyl-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-[(4-oxo-3H-quinazolin-2-yl)methyl]azanium
CID 135809129
[4-[[2-(diethylazaniumyl)acetyl]amino]quinolin-2-yl]-dimethylazanium
CID 3465625

Frequently Asked Questions

What is the IUPAC name of [2-[(3-ethyl-2-propylquinolin-4-yl)amino]-2-oxoethyl]-dipentylazanium?
The IUPAC name of [2-[(3-ethyl-2-propylquinolin-4-yl)amino]-2-oxoethyl]-dipentylazanium (CID 7300204) is [2-[(3-ethyl-2-propylquinolin-4-yl)amino]-2-oxoethyl]-dipentylazanium.
What is the SMILES notation for [2-[(3-ethyl-2-propylquinolin-4-yl)amino]-2-oxoethyl]-dipentylazanium?
The canonical SMILES for [2-[(3-ethyl-2-propylquinolin-4-yl)amino]-2-oxoethyl]-dipentylazanium is CCCCC[NH+](CCCCC)CC(=O)Nc1c(CC)c(CCC)nc2ccccc12.
What is the InChIKey of [2-[(3-ethyl-2-propylquinolin-4-yl)amino]-2-oxoethyl]-dipentylazanium?
The InChIKey is IRTWANIQVXCLHV-UHFFFAOYSA-O. The full InChI is InChI=1S/C26H41N3O/c1-5-9-13-18-29(19-14-10-6-2)20-25(30)28-26-21(8-4)23(15-7-3)27-24-17-12-11-16-22(24)26/h11-12,16-17H,5-10,13-15,18-20H2,1-4H3,(H,27,28,30)/p+1.
What are the key properties of [2-[(3-ethyl-2-propylquinolin-4-yl)amino]-2-oxoethyl]-dipentylazanium?
[2-[(3-ethyl-2-propylquinolin-4-yl)amino]-2-oxoethyl]-dipentylazanium has a molecular weight of 412.64 g/mol, XLogP of 4.95, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-ethyl-2-propylquinolin-4-yl)amino]-2-oxoethyl]-dipentylazanium is sourced from PubChem (CID 7300204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).