tert-butyl-[2-[(3-ethyl-2-propylquinolin-4-yl)amino]-2-oxoethyl]azanium

C20H30N3O+ — CID 4000586

IUPACtert-butyl-[2-[(3-ethyl-2-propylquinolin-4-yl)amino]-2-oxoethyl]azanium
SMILESCCCc1nc2ccccc2c(NC(=O)C[NH2+]C(C)(C)C)c1CC
InChIInChI=1S/C20H29N3O/c1-6-10-16-14(7-2)19(15-11-8-9-12-17(15)22-16)23-18(24)13-21-20(3,4)5/h8-9,11-12,21H,6-7,10,13H2,1-5H3,(H,22,23,24)/p+1
InChIKeyXJKGLHXLPKXIDN-UHFFFAOYSA-O
MW328.48 g/mol
LogP3.05
Rot. Bonds6

About tert-butyl-[2-[(3-ethyl-2-propylquinolin-4-yl)amino]-2-oxoethyl]azanium

tert-butyl-[2-[(3-ethyl-2-propylquinolin-4-yl)amino]-2-oxoethyl]azanium (PubChem CID 4000586) has the molecular formula C20H30N3O+ and a molecular weight of 328.48 g/mol. Its IUPAC name is tert-butyl-[2-[(3-ethyl-2-propylquinolin-4-yl)amino]-2-oxoethyl]azanium.

Molecular Properties

Compound Nametert-butyl-[2-[(3-ethyl-2-propylquinolin-4-yl)amino]-2-oxoethyl]azanium
PubChem CID4000586
Molecular FormulaC20H30N3O+
Molecular Weight328.48 g/mol
Exact Mass328.24
IUPAC Nametert-butyl-[2-[(3-ethyl-2-propylquinolin-4-yl)amino]-2-oxoethyl]azanium
SMILESCCCc1nc2ccccc2c(NC(=O)C[NH2+]C(C)(C)C)c1CC
InChIInChI=1S/C20H29N3O/c1-6-10-16-14(7-2)19(15-11-8-9-12-17(15)22-16)23-18(24)13-21-20(3,4)5/h8-9,11-12,21H,6-7,10,13H2,1-5H3,(H,22,23,24)/p+1
InChIKeyXJKGLHXLPKXIDN-UHFFFAOYSA-O
XLogP3.05
TPSA58.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[2-[(3-ethyl-2-propylquinolin-4-yl)amino]-2-oxoethyl]-dipentylazanium
CID 7300204
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-ethyl-3-methylquinolin-4-yl)amino]-2-oxoethyl]-[(2R)-1-phenylpropan-2-yl]azanium
CID 6962287
[2-(2-bromoanilino)-2-oxoethyl] 3-ethyl-2-propylquinoline-4-carboxylate
CID 23770399
[2-(ethylcarbamoylamino)-2-oxoethyl] 3-ethyl-2-propylquinoline-4-carboxylate
CID 2632086
N-[2-chloro-4-[(2-hydroxy-2-methylpropyl)amino]quinolin-3-yl]butanamide
CID 166510856
[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 3-ethyl-2-propylquinoline-4-carboxylate
CID 2103211
3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoic acid;3-ethyl-2-propylquinolin-4-amine
CID 3095493
[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 3-ethyl-2-propylquinoline-4-carboxylate
CID 2436151
[4-(4-fluorophenyl)-2-propylquinolin-3-yl]methanol
CID 15125323
N-cyclopentyl-2-[(3-ethyl-2-methylquinolin-4-yl)amino]acetamide
CID 166202902

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[2-[(3-ethyl-2-propylquinolin-4-yl)amino]-2-oxoethyl]azanium?
The IUPAC name of tert-butyl-[2-[(3-ethyl-2-propylquinolin-4-yl)amino]-2-oxoethyl]azanium (CID 4000586) is tert-butyl-[2-[(3-ethyl-2-propylquinolin-4-yl)amino]-2-oxoethyl]azanium.
What is the SMILES notation for tert-butyl-[2-[(3-ethyl-2-propylquinolin-4-yl)amino]-2-oxoethyl]azanium?
The canonical SMILES for tert-butyl-[2-[(3-ethyl-2-propylquinolin-4-yl)amino]-2-oxoethyl]azanium is CCCc1nc2ccccc2c(NC(=O)C[NH2+]C(C)(C)C)c1CC.
What is the InChIKey of tert-butyl-[2-[(3-ethyl-2-propylquinolin-4-yl)amino]-2-oxoethyl]azanium?
The InChIKey is XJKGLHXLPKXIDN-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H29N3O/c1-6-10-16-14(7-2)19(15-11-8-9-12-17(15)22-16)23-18(24)13-21-20(3,4)5/h8-9,11-12,21H,6-7,10,13H2,1-5H3,(H,22,23,24)/p+1.
What are the key properties of tert-butyl-[2-[(3-ethyl-2-propylquinolin-4-yl)amino]-2-oxoethyl]azanium?
tert-butyl-[2-[(3-ethyl-2-propylquinolin-4-yl)amino]-2-oxoethyl]azanium has a molecular weight of 328.48 g/mol, XLogP of 3.05, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-[(3-ethyl-2-propylquinolin-4-yl)amino]-2-oxoethyl]azanium is sourced from PubChem (CID 4000586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).