(6-fluoro-2-methyl-4-oxo-1H-quinolin-3-yl)methyl-dipropylazanium

C17H24FN2O+ — CID 3557128

IUPAC(6-fluoro-2-methyl-4-oxo-1H-quinolin-3-yl)methyl-dipropylazanium
SMILESCCC[NH+](CCC)Cc1c(C)[nH]c2ccc(F)cc2c1=O
InChIInChI=1S/C17H23FN2O/c1-4-8-20(9-5-2)11-15-12(3)19-16-7-6-13(18)10-14(16)17(15)21/h6-7,10H,4-5,8-9,11H2,1-3H3,(H,19,21)/p+1
InChIKeyPVPTUGUBJOLNKD-UHFFFAOYSA-O
MW291.39 g/mol
LogP2.18
Rot. Bonds6

About (6-fluoro-2-methyl-4-oxo-1H-quinolin-3-yl)methyl-dipropylazanium

(6-fluoro-2-methyl-4-oxo-1H-quinolin-3-yl)methyl-dipropylazanium (PubChem CID 3557128) has the molecular formula C17H24FN2O+ and a molecular weight of 291.39 g/mol. Its IUPAC name is (6-fluoro-2-methyl-4-oxo-1H-quinolin-3-yl)methyl-dipropylazanium.

Molecular Properties

Compound Name(6-fluoro-2-methyl-4-oxo-1H-quinolin-3-yl)methyl-dipropylazanium
PubChem CID3557128
Molecular FormulaC17H24FN2O+
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name(6-fluoro-2-methyl-4-oxo-1H-quinolin-3-yl)methyl-dipropylazanium
SMILESCCC[NH+](CCC)Cc1c(C)[nH]c2ccc(F)cc2c1=O
InChIInChI=1S/C17H23FN2O/c1-4-8-20(9-5-2)11-15-12(3)19-16-7-6-13(18)10-14(16)17(15)21/h6-7,10H,4-5,8-9,11H2,1-3H3,(H,19,21)/p+1
InChIKeyPVPTUGUBJOLNKD-UHFFFAOYSA-O
XLogP2.18
TPSA37.30 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

dibutyl-[(6-fluoro-2-methyl-4-oxo-1H-quinolin-3-yl)methyl]azanium
CID 4245000
butyl-ethyl-[(6-fluoro-2-methyl-4-oxo-1H-quinolin-3-yl)methyl]azanium
CID 3627893
dibutyl-[[6-(diethylamino)-2-methyl-4-oxo-1H-quinolin-3-yl]methyl]azanium
CID 4250199
2-(6-fluoro-2-methyl-4-oxo-1H-quinolin-3-yl)acetonitrile
CID 82241864
(6-bromo-2-methyl-4-oxo-1H-quinolin-3-yl)methyl-butyl-ethylazanium
CID 5076053
(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
(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
[6-(diethylamino)-2-methyl-4-oxo-1H-quinolin-3-yl]methyl-dimethylazanium
CID 4250011
(2,6-dimethyl-4-oxo-1H-quinolin-3-yl)methyl-bis(prop-2-enyl)azanium
CID 4536866
butyl-ethyl-[(6-methoxycarbonyl-2-methyl-4-oxo-1H-quinolin-3-yl)methyl]azanium
CID 5014178

Frequently Asked Questions

What is the IUPAC name of (6-fluoro-2-methyl-4-oxo-1H-quinolin-3-yl)methyl-dipropylazanium?
The IUPAC name of (6-fluoro-2-methyl-4-oxo-1H-quinolin-3-yl)methyl-dipropylazanium (CID 3557128) is (6-fluoro-2-methyl-4-oxo-1H-quinolin-3-yl)methyl-dipropylazanium.
What is the SMILES notation for (6-fluoro-2-methyl-4-oxo-1H-quinolin-3-yl)methyl-dipropylazanium?
The canonical SMILES for (6-fluoro-2-methyl-4-oxo-1H-quinolin-3-yl)methyl-dipropylazanium is CCC[NH+](CCC)Cc1c(C)[nH]c2ccc(F)cc2c1=O.
What is the InChIKey of (6-fluoro-2-methyl-4-oxo-1H-quinolin-3-yl)methyl-dipropylazanium?
The InChIKey is PVPTUGUBJOLNKD-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H23FN2O/c1-4-8-20(9-5-2)11-15-12(3)19-16-7-6-13(18)10-14(16)17(15)21/h6-7,10H,4-5,8-9,11H2,1-3H3,(H,19,21)/p+1.
What are the key properties of (6-fluoro-2-methyl-4-oxo-1H-quinolin-3-yl)methyl-dipropylazanium?
(6-fluoro-2-methyl-4-oxo-1H-quinolin-3-yl)methyl-dipropylazanium has a molecular weight of 291.39 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6-fluoro-2-methyl-4-oxo-1H-quinolin-3-yl)methyl-dipropylazanium is sourced from PubChem (CID 3557128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).