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

C17H24FN2O+ — CID 3627893

IUPACbutyl-ethyl-[(6-fluoro-2-methyl-4-oxo-1H-quinolin-3-yl)methyl]azanium
SMILESCCCC[NH+](CC)Cc1c(C)[nH]c2ccc(F)cc2c1=O
InChIInChI=1S/C17H23FN2O/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
InChIKeySBPOVSQHJZRDDB-UHFFFAOYSA-O
MW291.39 g/mol
LogP2.18
Rot. Bonds6

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

butyl-ethyl-[(6-fluoro-2-methyl-4-oxo-1H-quinolin-3-yl)methyl]azanium (PubChem CID 3627893) has the molecular formula C17H24FN2O+ and a molecular weight of 291.39 g/mol. Its IUPAC name is butyl-ethyl-[(6-fluoro-2-methyl-4-oxo-1H-quinolin-3-yl)methyl]azanium.

Molecular Properties

Compound Namebutyl-ethyl-[(6-fluoro-2-methyl-4-oxo-1H-quinolin-3-yl)methyl]azanium
PubChem CID3627893
Molecular FormulaC17H24FN2O+
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Namebutyl-ethyl-[(6-fluoro-2-methyl-4-oxo-1H-quinolin-3-yl)methyl]azanium
SMILESCCCC[NH+](CC)Cc1c(C)[nH]c2ccc(F)cc2c1=O
InChIInChI=1S/C17H23FN2O/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
InChIKeySBPOVSQHJZRDDB-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

Analyze butyl-ethyl-[(6-fluoro-2-methyl-4-oxo-1H-quinolin-3-yl)methyl]azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of butyl-ethyl-[(6-fluoro-2-methyl-4-oxo-1H-quinolin-3-yl)methyl]azanium?
The IUPAC name of butyl-ethyl-[(6-fluoro-2-methyl-4-oxo-1H-quinolin-3-yl)methyl]azanium (CID 3627893) is butyl-ethyl-[(6-fluoro-2-methyl-4-oxo-1H-quinolin-3-yl)methyl]azanium.
What is the SMILES notation for butyl-ethyl-[(6-fluoro-2-methyl-4-oxo-1H-quinolin-3-yl)methyl]azanium?
The canonical SMILES for butyl-ethyl-[(6-fluoro-2-methyl-4-oxo-1H-quinolin-3-yl)methyl]azanium is CCCC[NH+](CC)Cc1c(C)[nH]c2ccc(F)cc2c1=O.
What is the InChIKey of butyl-ethyl-[(6-fluoro-2-methyl-4-oxo-1H-quinolin-3-yl)methyl]azanium?
The InChIKey is SBPOVSQHJZRDDB-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H23FN2O/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 butyl-ethyl-[(6-fluoro-2-methyl-4-oxo-1H-quinolin-3-yl)methyl]azanium?
butyl-ethyl-[(6-fluoro-2-methyl-4-oxo-1H-quinolin-3-yl)methyl]azanium 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 butyl-ethyl-[(6-fluoro-2-methyl-4-oxo-1H-quinolin-3-yl)methyl]azanium is sourced from PubChem (CID 3627893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).