dibutyl-[(6-fluoro-2-methyl-4-oxo-1H-quinolin-3-yl)methyl]azanium

C19H28FN2O+ — CID 4245000

IUPACdibutyl-[(6-fluoro-2-methyl-4-oxo-1H-quinolin-3-yl)methyl]azanium
SMILESCCCC[NH+](CCCC)Cc1c(C)[nH]c2ccc(F)cc2c1=O
InChIInChI=1S/C19H27FN2O/c1-4-6-10-22(11-7-5-2)13-17-14(3)21-18-9-8-15(20)12-16(18)19(17)23/h8-9,12H,4-7,10-11,13H2,1-3H3,(H,21,23)/p+1
InChIKeyFXABBGBYASTRFO-UHFFFAOYSA-O
MW319.44 g/mol
LogP2.96
Rot. Bonds8

About dibutyl-[(6-fluoro-2-methyl-4-oxo-1H-quinolin-3-yl)methyl]azanium

dibutyl-[(6-fluoro-2-methyl-4-oxo-1H-quinolin-3-yl)methyl]azanium (PubChem CID 4245000) has the molecular formula C19H28FN2O+ and a molecular weight of 319.44 g/mol. Its IUPAC name is dibutyl-[(6-fluoro-2-methyl-4-oxo-1H-quinolin-3-yl)methyl]azanium.

Molecular Properties

Compound Namedibutyl-[(6-fluoro-2-methyl-4-oxo-1H-quinolin-3-yl)methyl]azanium
PubChem CID4245000
Molecular FormulaC19H28FN2O+
Molecular Weight319.44 g/mol
Exact Mass319.22
IUPAC Namedibutyl-[(6-fluoro-2-methyl-4-oxo-1H-quinolin-3-yl)methyl]azanium
SMILESCCCC[NH+](CCCC)Cc1c(C)[nH]c2ccc(F)cc2c1=O
InChIInChI=1S/C19H27FN2O/c1-4-6-10-22(11-7-5-2)13-17-14(3)21-18-9-8-15(20)12-16(18)19(17)23/h8-9,12H,4-7,10-11,13H2,1-3H3,(H,21,23)/p+1
InChIKeyFXABBGBYASTRFO-UHFFFAOYSA-O
XLogP2.96
TPSA37.30 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.44
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

butyl-ethyl-[(6-fluoro-2-methyl-4-oxo-1H-quinolin-3-yl)methyl]azanium
CID 3627893
(6-fluoro-2-methyl-4-oxo-1H-quinolin-3-yl)methyl-dipropylazanium
CID 3557128
dibutyl-[[6-(diethylamino)-2-methyl-4-oxo-1H-quinolin-3-yl]methyl]azanium
CID 4250199
(6-bromo-2-methyl-4-oxo-1H-quinolin-3-yl)methyl-butyl-ethylazanium
CID 5076053
(6-butoxy-2-methyl-4-oxo-1H-quinolin-3-yl)methyl-butyl-ethylazanium
CID 3433637
dibutyl-[(6-methoxycarbonyl-2-methyl-4-oxo-1H-quinolin-3-yl)methyl]azanium
CID 6995828
butyl-ethyl-[(6-methoxycarbonyl-2-methyl-4-oxo-1H-quinolin-3-yl)methyl]azanium
CID 5014178
2-(6-fluoro-2-methyl-4-oxo-1H-quinolin-3-yl)acetonitrile
CID 82241864
(6-fluoro-2-methyl-4-oxo-1H-quinolin-3-yl)methyl-methyl-(1-methylpiperidin-1-ium-4-yl)azanium
CID 3497343
3-(6-fluoro-2-methyl-4-oxo-1H-quinolin-3-yl)propanenitrile
CID 82242761
(2,6-dimethyl-4-oxo-1H-quinolin-3-yl)methyl-bis(prop-2-enyl)azanium
CID 4536866
[6-(diethylamino)-2-methyl-4-oxo-1H-quinolin-3-yl]methyl-dimethylazanium
CID 4250011

Frequently Asked Questions

What is the IUPAC name of dibutyl-[(6-fluoro-2-methyl-4-oxo-1H-quinolin-3-yl)methyl]azanium?
The IUPAC name of dibutyl-[(6-fluoro-2-methyl-4-oxo-1H-quinolin-3-yl)methyl]azanium (CID 4245000) is dibutyl-[(6-fluoro-2-methyl-4-oxo-1H-quinolin-3-yl)methyl]azanium.
What is the SMILES notation for dibutyl-[(6-fluoro-2-methyl-4-oxo-1H-quinolin-3-yl)methyl]azanium?
The canonical SMILES for dibutyl-[(6-fluoro-2-methyl-4-oxo-1H-quinolin-3-yl)methyl]azanium is CCCC[NH+](CCCC)Cc1c(C)[nH]c2ccc(F)cc2c1=O.
What is the InChIKey of dibutyl-[(6-fluoro-2-methyl-4-oxo-1H-quinolin-3-yl)methyl]azanium?
The InChIKey is FXABBGBYASTRFO-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H27FN2O/c1-4-6-10-22(11-7-5-2)13-17-14(3)21-18-9-8-15(20)12-16(18)19(17)23/h8-9,12H,4-7,10-11,13H2,1-3H3,(H,21,23)/p+1.
What are the key properties of dibutyl-[(6-fluoro-2-methyl-4-oxo-1H-quinolin-3-yl)methyl]azanium?
dibutyl-[(6-fluoro-2-methyl-4-oxo-1H-quinolin-3-yl)methyl]azanium has a molecular weight of 319.44 g/mol, XLogP of 2.96, 8 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dibutyl-[(6-fluoro-2-methyl-4-oxo-1H-quinolin-3-yl)methyl]azanium is sourced from PubChem (CID 4245000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).