[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium

C23H30N3O2+ — CID 9339169

IUPAC[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium
SMILESCc1cc(C)c(NC(=O)C[NH+](C)CC(=O)N2CCCc3ccccc32)c(C)c1
InChIInChI=1S/C23H29N3O2/c1-16-12-17(2)23(18(3)13-16)24-21(27)14-25(4)15-22(28)26-11-7-9-19-8-5-6-10-20(19)26/h5-6,8,10,12-13H,7,9,11,14-15H2,1-4H3,(H,24,27)/p+1
InChIKeyGRCHSMDNFQDLKK-UHFFFAOYSA-O
MW380.51 g/mol
LogP2.04
Rot. Bonds5

About [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium

[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium (PubChem CID 9339169) has the molecular formula C23H30N3O2+ and a molecular weight of 380.51 g/mol. Its IUPAC name is [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium.

Molecular Properties

Compound Name[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium
PubChem CID9339169
Molecular FormulaC23H30N3O2+
Molecular Weight380.51 g/mol
Exact Mass380.23
IUPAC Name[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium
SMILESCc1cc(C)c(NC(=O)C[NH+](C)CC(=O)N2CCCc3ccccc32)c(C)c1
InChIInChI=1S/C23H29N3O2/c1-16-12-17(2)23(18(3)13-16)24-21(27)14-25(4)15-22(28)26-11-7-9-19-8-5-6-10-20(19)26/h5-6,8,10,12-13H,7,9,11,14-15H2,1-4H3,(H,24,27)/p+1
InChIKeyGRCHSMDNFQDLKK-UHFFFAOYSA-O
XLogP2.04
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.51
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium with MolForge

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Related Compounds

[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium
CID 9339134
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]azanium
CID 9105783
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-[2-(3-methoxyanilino)-2-oxoethyl]-methylazanium
CID 8554618
2-(2-chloro-4,6-dimethylanilino)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 109007328
methyl-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium
CID 8710563
[2-(3,4-diethoxyanilino)-2-oxoethyl]-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-methylazanium
CID 8818636
N-(2-chloro-4,6-dimethylphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 8686364
5-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(2,4,6-trimethylphenyl)pyridine-3-carboxamide
CID 109108184
3-(2,3-dihydroindol-1-yl)-2,2-dimethyl-3-oxo-N-(2,4,6-trimethylphenyl)propanamide
CID 108967644
[2-(2,6-diethylanilino)-2-oxoethyl]-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium
CID 9339145
2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1-(3,5-dimethylphenyl)guanidine
CID 111079025
4-(3,4-dihydro-2H-quinolin-1-yl)-4-oxobutanoate
CID 3663082

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium?
The IUPAC name of [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium (CID 9339169) is [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium.
What is the SMILES notation for [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium?
The canonical SMILES for [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium is Cc1cc(C)c(NC(=O)C[NH+](C)CC(=O)N2CCCc3ccccc32)c(C)c1.
What is the InChIKey of [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium?
The InChIKey is GRCHSMDNFQDLKK-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H29N3O2/c1-16-12-17(2)23(18(3)13-16)24-21(27)14-25(4)15-22(28)26-11-7-9-19-8-5-6-10-20(19)26/h5-6,8,10,12-13H,7,9,11,14-15H2,1-4H3,(H,24,27)/p+1.
What are the key properties of [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium?
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium has a molecular weight of 380.51 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium is sourced from PubChem (CID 9339169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).