(6-fluoro-2-methyl-4-oxo-1H-quinolin-3-yl)methyl-methyl-(1-methylpiperidin-1-ium-4-yl)azanium

C18H26FN3O+2 — CID 3497343

IUPAC(6-fluoro-2-methyl-4-oxo-1H-quinolin-3-yl)methyl-methyl-(1-methylpiperidin-1-ium-4-yl)azanium
SMILESCc1[nH]c2ccc(F)cc2c(=O)c1C[NH+](C)C1CC[NH+](C)CC1
InChIInChI=1S/C18H24FN3O/c1-12-16(11-22(3)14-6-8-21(2)9-7-14)18(23)15-10-13(19)4-5-17(15)20-12/h4-5,10,14H,6-9,11H2,1-3H3,(H,20,23)/p+2
InChIKeyUWVSAWDPAZJEDC-UHFFFAOYSA-P
MW319.42 g/mol
LogP-0.33
Rot. Bonds3

About (6-fluoro-2-methyl-4-oxo-1H-quinolin-3-yl)methyl-methyl-(1-methylpiperidin-1-ium-4-yl)azanium

(6-fluoro-2-methyl-4-oxo-1H-quinolin-3-yl)methyl-methyl-(1-methylpiperidin-1-ium-4-yl)azanium (PubChem CID 3497343) has the molecular formula C18H26FN3O+2 and a molecular weight of 319.42 g/mol. Its IUPAC name is (6-fluoro-2-methyl-4-oxo-1H-quinolin-3-yl)methyl-methyl-(1-methylpiperidin-1-ium-4-yl)azanium.

Molecular Properties

Compound Name(6-fluoro-2-methyl-4-oxo-1H-quinolin-3-yl)methyl-methyl-(1-methylpiperidin-1-ium-4-yl)azanium
PubChem CID3497343
Molecular FormulaC18H26FN3O+2
Molecular Weight319.42 g/mol
Exact Mass319.20
IUPAC Name(6-fluoro-2-methyl-4-oxo-1H-quinolin-3-yl)methyl-methyl-(1-methylpiperidin-1-ium-4-yl)azanium
SMILESCc1[nH]c2ccc(F)cc2c(=O)c1C[NH+](C)C1CC[NH+](C)CC1
InChIInChI=1S/C18H24FN3O/c1-12-16(11-22(3)14-6-8-21(2)9-7-14)18(23)15-10-13(19)4-5-17(15)20-12/h4-5,10,14H,6-9,11H2,1-3H3,(H,20,23)/p+2
InChIKeyUWVSAWDPAZJEDC-UHFFFAOYSA-P
XLogP-0.33
TPSA41.74 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.42
LogP ≤ 5-0.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Analyze (6-fluoro-2-methyl-4-oxo-1H-quinolin-3-yl)methyl-methyl-(1-methylpiperidin-1-ium-4-yl)azanium with MolForge

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Related Compounds

(6-butyl-2-methyl-4-oxo-1H-quinolin-3-yl)methyl-methyl-(1-methylpiperidin-1-ium-4-yl)azanium
CID 5073690
(6-fluoro-2-methyl-4-oxo-1H-quinolin-3-yl)methyl-dipropylazanium
CID 3557128
dibutyl-[(6-fluoro-2-methyl-4-oxo-1H-quinolin-3-yl)methyl]azanium
CID 4245000
6-fluoro-2-methyl-3-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]-1H-quinolin-4-one
CID 7212509
(5,8-dimethoxy-2-methyl-4-oxo-1H-quinolin-3-yl)methyl-methyl-(1-methylpiperidin-1-ium-4-yl)azanium
CID 3635046
butyl-ethyl-[(6-fluoro-2-methyl-4-oxo-1H-quinolin-3-yl)methyl]azanium
CID 3627893
2-(6-fluoro-2-methyl-4-oxo-1H-quinolin-3-yl)acetonitrile
CID 82241864
3-(6-fluoro-2-methyl-4-oxo-1H-quinolin-3-yl)propanenitrile
CID 82242761
[6-(diethylamino)-2-methyl-4-oxo-1H-quinolin-3-yl]methyl-dimethylazanium
CID 4250011
[6-(dimethylamino)-2-methyl-4-oxo-1H-quinolin-3-yl]methyl-dimethylazanium
CID 4621806
6-bromo-2-methyl-3-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]-1H-quinolin-4-one
CID 7199765
cyclohexyl-methyl-[(2,7,8-trimethyl-4-oxo-1H-quinolin-3-yl)methyl]azanium
CID 3300019

Frequently Asked Questions

What is the IUPAC name of (6-fluoro-2-methyl-4-oxo-1H-quinolin-3-yl)methyl-methyl-(1-methylpiperidin-1-ium-4-yl)azanium?
The IUPAC name of (6-fluoro-2-methyl-4-oxo-1H-quinolin-3-yl)methyl-methyl-(1-methylpiperidin-1-ium-4-yl)azanium (CID 3497343) is (6-fluoro-2-methyl-4-oxo-1H-quinolin-3-yl)methyl-methyl-(1-methylpiperidin-1-ium-4-yl)azanium.
What is the SMILES notation for (6-fluoro-2-methyl-4-oxo-1H-quinolin-3-yl)methyl-methyl-(1-methylpiperidin-1-ium-4-yl)azanium?
The canonical SMILES for (6-fluoro-2-methyl-4-oxo-1H-quinolin-3-yl)methyl-methyl-(1-methylpiperidin-1-ium-4-yl)azanium is Cc1[nH]c2ccc(F)cc2c(=O)c1C[NH+](C)C1CC[NH+](C)CC1.
What is the InChIKey of (6-fluoro-2-methyl-4-oxo-1H-quinolin-3-yl)methyl-methyl-(1-methylpiperidin-1-ium-4-yl)azanium?
The InChIKey is UWVSAWDPAZJEDC-UHFFFAOYSA-P. The full InChI is InChI=1S/C18H24FN3O/c1-12-16(11-22(3)14-6-8-21(2)9-7-14)18(23)15-10-13(19)4-5-17(15)20-12/h4-5,10,14H,6-9,11H2,1-3H3,(H,20,23)/p+2.
What are the key properties of (6-fluoro-2-methyl-4-oxo-1H-quinolin-3-yl)methyl-methyl-(1-methylpiperidin-1-ium-4-yl)azanium?
(6-fluoro-2-methyl-4-oxo-1H-quinolin-3-yl)methyl-methyl-(1-methylpiperidin-1-ium-4-yl)azanium has a molecular weight of 319.42 g/mol, XLogP of -0.33, 3 rotatable bonds, 3 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-methyl-(1-methylpiperidin-1-ium-4-yl)azanium is sourced from PubChem (CID 3497343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).