2-[(6-bromo-2-pyridin-4-ylquinoline-4-carbonyl)amino]ethyl-dimethylazanium

C19H20BrN4O+ — CID 7472552

IUPAC2-[(6-bromo-2-pyridin-4-ylquinoline-4-carbonyl)amino]ethyl-dimethylazanium
SMILESC[NH+](C)CCNC(=O)c1cc(-c2ccncc2)nc2ccc(Br)cc12
InChIInChI=1S/C19H19BrN4O/c1-24(2)10-9-22-19(25)16-12-18(13-5-7-21-8-6-13)23-17-4-3-14(20)11-15(16)17/h3-8,11-12H,9-10H2,1-2H3,(H,22,25)/p+1
InChIKeyQFMZUUOHTRBZGR-UHFFFAOYSA-O
MW400.30 g/mol
LogP1.93
Rot. Bonds5

About 2-[(6-bromo-2-pyridin-4-ylquinoline-4-carbonyl)amino]ethyl-dimethylazanium

2-[(6-bromo-2-pyridin-4-ylquinoline-4-carbonyl)amino]ethyl-dimethylazanium (PubChem CID 7472552) has the molecular formula C19H20BrN4O+ and a molecular weight of 400.30 g/mol. Its IUPAC name is 2-[(6-bromo-2-pyridin-4-ylquinoline-4-carbonyl)amino]ethyl-dimethylazanium.

Molecular Properties

Compound Name2-[(6-bromo-2-pyridin-4-ylquinoline-4-carbonyl)amino]ethyl-dimethylazanium
PubChem CID7472552
Molecular FormulaC19H20BrN4O+
Molecular Weight400.30 g/mol
Exact Mass399.08
IUPAC Name2-[(6-bromo-2-pyridin-4-ylquinoline-4-carbonyl)amino]ethyl-dimethylazanium
SMILESC[NH+](C)CCNC(=O)c1cc(-c2ccncc2)nc2ccc(Br)cc12
InChIInChI=1S/C19H19BrN4O/c1-24(2)10-9-22-19(25)16-12-18(13-5-7-21-8-6-13)23-17-4-3-14(20)11-15(16)17/h3-8,11-12H,9-10H2,1-2H3,(H,22,25)/p+1
InChIKeyQFMZUUOHTRBZGR-UHFFFAOYSA-O
XLogP1.93
TPSA59.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.30
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-N-(2-cyclobutyloxyethyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 166216690
6-bromo-N-[2-(cyclohexen-1-yl)ethyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 1257032
methyl 6-bromo-2-pyridin-4-ylquinoline-4-carboxylate
CID 17255626
6-bromo-2-pyridin-4-yl-N'-(2H-triazole-4-carbonyl)quinoline-4-carbohydrazide
CID 86892310
6-bromo-N-(1,4-dihydroxybutan-2-yl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 155967034
N-(2-adamantyl)-6-bromo-2-pyridin-4-ylquinoline-4-carboxamide
CID 2220478
N-(3,3-diphenylpropyl)-6-methyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 3397561
6-bromo-2-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)quinoline-4-carboxamide
CID 2933815
N-(2-phenylethyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 4082729
N-(3-hydroxybutyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 111428934
6-bromo-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 2220497
6-bromo-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 1261532

Frequently Asked Questions

What is the IUPAC name of 2-[(6-bromo-2-pyridin-4-ylquinoline-4-carbonyl)amino]ethyl-dimethylazanium?
The IUPAC name of 2-[(6-bromo-2-pyridin-4-ylquinoline-4-carbonyl)amino]ethyl-dimethylazanium (CID 7472552) is 2-[(6-bromo-2-pyridin-4-ylquinoline-4-carbonyl)amino]ethyl-dimethylazanium.
What is the SMILES notation for 2-[(6-bromo-2-pyridin-4-ylquinoline-4-carbonyl)amino]ethyl-dimethylazanium?
The canonical SMILES for 2-[(6-bromo-2-pyridin-4-ylquinoline-4-carbonyl)amino]ethyl-dimethylazanium is C[NH+](C)CCNC(=O)c1cc(-c2ccncc2)nc2ccc(Br)cc12.
What is the InChIKey of 2-[(6-bromo-2-pyridin-4-ylquinoline-4-carbonyl)amino]ethyl-dimethylazanium?
The InChIKey is QFMZUUOHTRBZGR-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H19BrN4O/c1-24(2)10-9-22-19(25)16-12-18(13-5-7-21-8-6-13)23-17-4-3-14(20)11-15(16)17/h3-8,11-12H,9-10H2,1-2H3,(H,22,25)/p+1.
What are the key properties of 2-[(6-bromo-2-pyridin-4-ylquinoline-4-carbonyl)amino]ethyl-dimethylazanium?
2-[(6-bromo-2-pyridin-4-ylquinoline-4-carbonyl)amino]ethyl-dimethylazanium has a molecular weight of 400.30 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-bromo-2-pyridin-4-ylquinoline-4-carbonyl)amino]ethyl-dimethylazanium is sourced from PubChem (CID 7472552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).