(6-bromo-2-methyl-4-oxo-1H-quinolin-3-yl)methyl-butyl-ethylazanium

C17H24BrN2O+ — CID 5076053

IUPAC(6-bromo-2-methyl-4-oxo-1H-quinolin-3-yl)methyl-butyl-ethylazanium
SMILESCCCC[NH+](CC)Cc1c(C)[nH]c2ccc(Br)cc2c1=O
InChIInChI=1S/C17H23BrN2O/c1-4-6-9-20(5-2)11-15-12(3)19-16-8-7-13(18)10-14(16)17(15)21/h7-8,10H,4-6,9,11H2,1-3H3,(H,19,21)/p+1
InChIKeyUCOXSEPSZDYGLK-UHFFFAOYSA-O
MW352.30 g/mol
LogP2.80
Rot. Bonds6

About (6-bromo-2-methyl-4-oxo-1H-quinolin-3-yl)methyl-butyl-ethylazanium

(6-bromo-2-methyl-4-oxo-1H-quinolin-3-yl)methyl-butyl-ethylazanium (PubChem CID 5076053) has the molecular formula C17H24BrN2O+ and a molecular weight of 352.30 g/mol. Its IUPAC name is (6-bromo-2-methyl-4-oxo-1H-quinolin-3-yl)methyl-butyl-ethylazanium.

Molecular Properties

Compound Name(6-bromo-2-methyl-4-oxo-1H-quinolin-3-yl)methyl-butyl-ethylazanium
PubChem CID5076053
Molecular FormulaC17H24BrN2O+
Molecular Weight352.30 g/mol
Exact Mass351.11
IUPAC Name(6-bromo-2-methyl-4-oxo-1H-quinolin-3-yl)methyl-butyl-ethylazanium
SMILESCCCC[NH+](CC)Cc1c(C)[nH]c2ccc(Br)cc2c1=O
InChIInChI=1S/C17H23BrN2O/c1-4-6-9-20(5-2)11-15-12(3)19-16-8-7-13(18)10-14(16)17(15)21/h7-8,10H,4-6,9,11H2,1-3H3,(H,19,21)/p+1
InChIKeyUCOXSEPSZDYGLK-UHFFFAOYSA-O
XLogP2.80
TPSA37.30 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.30
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze (6-bromo-2-methyl-4-oxo-1H-quinolin-3-yl)methyl-butyl-ethylazanium 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

butyl-ethyl-[(6-fluoro-2-methyl-4-oxo-1H-quinolin-3-yl)methyl]azanium
CID 3627893
(6-butoxy-2-methyl-4-oxo-1H-quinolin-3-yl)methyl-butyl-ethylazanium
CID 3433637
dibutyl-[(6-fluoro-2-methyl-4-oxo-1H-quinolin-3-yl)methyl]azanium
CID 4245000
butyl-ethyl-[(6-methoxycarbonyl-2-methyl-4-oxo-1H-quinolin-3-yl)methyl]azanium
CID 5014178
dibutyl-[[6-(diethylamino)-2-methyl-4-oxo-1H-quinolin-3-yl]methyl]azanium
CID 4250199
dibutyl-[(6-methoxycarbonyl-2-methyl-4-oxo-1H-quinolin-3-yl)methyl]azanium
CID 6995828
(6-fluoro-2-methyl-4-oxo-1H-quinolin-3-yl)methyl-dipropylazanium
CID 3557128
(2,6-dimethyl-4-oxo-1H-quinolin-3-yl)methyl-bis(prop-2-enyl)azanium
CID 4536866
6-bromo-3-(3,3-dichloroprop-2-enyl)-2-methyl-1H-quinolin-4-one
CID 911135
6-bromo-2-methyl-3-[(4-methylpiperazin-1-yl)methyl]-1H-quinolin-4-one
CID 1189503
6-bromo-2-methyl-3-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]-1H-quinolin-4-one
CID 1189714
3-[[benzyl(methyl)amino]methyl]-6-bromo-2-methyl-1H-quinolin-4-one
CID 1189507

Frequently Asked Questions

What is the IUPAC name of (6-bromo-2-methyl-4-oxo-1H-quinolin-3-yl)methyl-butyl-ethylazanium?
The IUPAC name of (6-bromo-2-methyl-4-oxo-1H-quinolin-3-yl)methyl-butyl-ethylazanium (CID 5076053) is (6-bromo-2-methyl-4-oxo-1H-quinolin-3-yl)methyl-butyl-ethylazanium.
What is the SMILES notation for (6-bromo-2-methyl-4-oxo-1H-quinolin-3-yl)methyl-butyl-ethylazanium?
The canonical SMILES for (6-bromo-2-methyl-4-oxo-1H-quinolin-3-yl)methyl-butyl-ethylazanium is CCCC[NH+](CC)Cc1c(C)[nH]c2ccc(Br)cc2c1=O.
What is the InChIKey of (6-bromo-2-methyl-4-oxo-1H-quinolin-3-yl)methyl-butyl-ethylazanium?
The InChIKey is UCOXSEPSZDYGLK-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H23BrN2O/c1-4-6-9-20(5-2)11-15-12(3)19-16-8-7-13(18)10-14(16)17(15)21/h7-8,10H,4-6,9,11H2,1-3H3,(H,19,21)/p+1.
What are the key properties of (6-bromo-2-methyl-4-oxo-1H-quinolin-3-yl)methyl-butyl-ethylazanium?
(6-bromo-2-methyl-4-oxo-1H-quinolin-3-yl)methyl-butyl-ethylazanium has a molecular weight of 352.30 g/mol, XLogP of 2.80, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-2-methyl-4-oxo-1H-quinolin-3-yl)methyl-butyl-ethylazanium is sourced from PubChem (CID 5076053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).