2-[[2-(3,4-dimethylphenyl)quinoline-4-carbonyl]amino]ethyl-diethylazanium

C24H30N3O+ — CID 4114426

IUPAC2-[[2-(3,4-dimethylphenyl)quinoline-4-carbonyl]amino]ethyl-diethylazanium
SMILESCC[NH+](CC)CCNC(=O)c1cc(-c2ccc(C)c(C)c2)nc2ccccc12
InChIInChI=1S/C24H29N3O/c1-5-27(6-2)14-13-25-24(28)21-16-23(19-12-11-17(3)18(4)15-19)26-22-10-8-7-9-20(21)22/h7-12,15-16H,5-6,13-14H2,1-4H3,(H,25,28)/p+1
InChIKeyKAEKNACZYIGZOM-UHFFFAOYSA-O
MW376.52 g/mol
LogP3.17
Rot. Bonds7

About 2-[[2-(3,4-dimethylphenyl)quinoline-4-carbonyl]amino]ethyl-diethylazanium

2-[[2-(3,4-dimethylphenyl)quinoline-4-carbonyl]amino]ethyl-diethylazanium (PubChem CID 4114426) has the molecular formula C24H30N3O+ and a molecular weight of 376.52 g/mol. Its IUPAC name is 2-[[2-(3,4-dimethylphenyl)quinoline-4-carbonyl]amino]ethyl-diethylazanium.

Molecular Properties

Compound Name2-[[2-(3,4-dimethylphenyl)quinoline-4-carbonyl]amino]ethyl-diethylazanium
PubChem CID4114426
Molecular FormulaC24H30N3O+
Molecular Weight376.52 g/mol
Exact Mass376.24
IUPAC Name2-[[2-(3,4-dimethylphenyl)quinoline-4-carbonyl]amino]ethyl-diethylazanium
SMILESCC[NH+](CC)CCNC(=O)c1cc(-c2ccc(C)c(C)c2)nc2ccccc12
InChIInChI=1S/C24H29N3O/c1-5-27(6-2)14-13-25-24(28)21-16-23(19-12-11-17(3)18(4)15-19)26-22-10-8-7-9-20(21)22/h7-12,15-16H,5-6,13-14H2,1-4H3,(H,25,28)/p+1
InChIKeyKAEKNACZYIGZOM-UHFFFAOYSA-O
XLogP3.17
TPSA46.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.52
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[[2-(3,4-dimethylphenyl)quinoline-4-carbonyl]amino]ethyl-diethylazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3,4-dimethylphenyl)-N-nonylquinoline-4-carboxamide
CID 4090468
2-(3,4-dimethylphenyl)-N-[4-[[2-(3,4-dimethylphenyl)quinoline-4-carbonyl]amino]phenyl]quinoline-4-carboxamide
CID 4144858
2-(3,4-dimethylphenyl)-N-(2-piperidin-1-ylethyl)quinoline-4-carboxamide
CID 42749415
N-[2-[(2-methylbenzoyl)amino]ethyl]-2-phenylquinoline-4-carboxamide
CID 8991019
N-benzyl-2-(3,4-dimethylphenyl)-N-methylquinoline-4-carboxamide
CID 995912
2-(3,4-dimethylphenyl)-N-(1H-pyrazol-5-yl)quinoline-4-carboxamide
CID 70789439
2-(3-methylphenyl)-N-[6-[[2-(3-methylphenyl)quinoline-4-carbonyl]amino]hexyl]quinoline-4-carboxamide
CID 4535019
2-(3,4-dimethylphenyl)-N-(6-methyl-2-pyridinyl)quinoline-4-carboxamide
CID 4060767
2-(3-bromophenyl)-N-[2-[[2-(3-bromophenyl)quinoline-4-carbonyl]amino]ethyl]quinoline-4-carboxamide
CID 4603852
2-(4-chlorophenyl)-N-[2-[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]ethyl]quinoline-4-carboxamide
CID 5115230
N-(2-acetamidoethyl)-2-phenylquinoline-4-carboxamide
CID 8991025
2-(3,4-dichlorophenyl)-N-[3-[[2-(3,4-dichlorophenyl)quinoline-4-carbonyl]amino]propyl]quinoline-4-carboxamide
CID 3705403

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3,4-dimethylphenyl)quinoline-4-carbonyl]amino]ethyl-diethylazanium?
The IUPAC name of 2-[[2-(3,4-dimethylphenyl)quinoline-4-carbonyl]amino]ethyl-diethylazanium (CID 4114426) is 2-[[2-(3,4-dimethylphenyl)quinoline-4-carbonyl]amino]ethyl-diethylazanium.
What is the SMILES notation for 2-[[2-(3,4-dimethylphenyl)quinoline-4-carbonyl]amino]ethyl-diethylazanium?
The canonical SMILES for 2-[[2-(3,4-dimethylphenyl)quinoline-4-carbonyl]amino]ethyl-diethylazanium is CC[NH+](CC)CCNC(=O)c1cc(-c2ccc(C)c(C)c2)nc2ccccc12.
What is the InChIKey of 2-[[2-(3,4-dimethylphenyl)quinoline-4-carbonyl]amino]ethyl-diethylazanium?
The InChIKey is KAEKNACZYIGZOM-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H29N3O/c1-5-27(6-2)14-13-25-24(28)21-16-23(19-12-11-17(3)18(4)15-19)26-22-10-8-7-9-20(21)22/h7-12,15-16H,5-6,13-14H2,1-4H3,(H,25,28)/p+1.
What are the key properties of 2-[[2-(3,4-dimethylphenyl)quinoline-4-carbonyl]amino]ethyl-diethylazanium?
2-[[2-(3,4-dimethylphenyl)quinoline-4-carbonyl]amino]ethyl-diethylazanium has a molecular weight of 376.52 g/mol, XLogP of 3.17, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3,4-dimethylphenyl)quinoline-4-carbonyl]amino]ethyl-diethylazanium is sourced from PubChem (CID 4114426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).