6-fluoro-1-(4-pyrrolidin-1-ylbutyl)-2-(trifluoromethyl)quinolin-4-one

C18H20F4N2O — CID 71624726

IUPAC6-fluoro-1-(4-pyrrolidin-1-ylbutyl)-2-(trifluoromethyl)quinolin-4-one
SMILESO=c1cc(C(F)(F)F)n(CCCCN2CCCC2)c2ccc(F)cc12
InChIInChI=1S/C18H20F4N2O/c19-13-5-6-15-14(11-13)16(25)12-17(18(20,21)22)24(15)10-4-3-9-23-7-1-2-8-23/h5-6,11-12H,1-4,7-10H2
InChIKeyDYQRLWJIPSZIES-UHFFFAOYSA-N
MW356.36 g/mol
LogP4.04
Rot. Bonds5

About 6-fluoro-1-(4-pyrrolidin-1-ylbutyl)-2-(trifluoromethyl)quinolin-4-one

6-fluoro-1-(4-pyrrolidin-1-ylbutyl)-2-(trifluoromethyl)quinolin-4-one (PubChem CID 71624726) has the molecular formula C18H20F4N2O and a molecular weight of 356.36 g/mol. Its IUPAC name is 6-fluoro-1-(4-pyrrolidin-1-ylbutyl)-2-(trifluoromethyl)quinolin-4-one.

Molecular Properties

Compound Name6-fluoro-1-(4-pyrrolidin-1-ylbutyl)-2-(trifluoromethyl)quinolin-4-one
PubChem CID71624726
Molecular FormulaC18H20F4N2O
Molecular Weight356.36 g/mol
Exact Mass356.15
IUPAC Name6-fluoro-1-(4-pyrrolidin-1-ylbutyl)-2-(trifluoromethyl)quinolin-4-one
SMILESO=c1cc(C(F)(F)F)n(CCCCN2CCCC2)c2ccc(F)cc12
InChIInChI=1S/C18H20F4N2O/c19-13-5-6-15-14(11-13)16(25)12-17(18(20,21)22)24(15)10-4-3-9-23-7-1-2-8-23/h5-6,11-12H,1-4,7-10H2
InChIKeyDYQRLWJIPSZIES-UHFFFAOYSA-N
XLogP4.04
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.36
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-fluoro-1-(4-pyrrolidin-1-ylbutyl)-2-(trifluoromethyl)quinolin-4-one 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 6-fluoro-1-(4-pyrrolidin-1-ylbutyl)-2-(trifluoromethyl)quinolin-4-one?
The IUPAC name of 6-fluoro-1-(4-pyrrolidin-1-ylbutyl)-2-(trifluoromethyl)quinolin-4-one (CID 71624726) is 6-fluoro-1-(4-pyrrolidin-1-ylbutyl)-2-(trifluoromethyl)quinolin-4-one.
What is the SMILES notation for 6-fluoro-1-(4-pyrrolidin-1-ylbutyl)-2-(trifluoromethyl)quinolin-4-one?
The canonical SMILES for 6-fluoro-1-(4-pyrrolidin-1-ylbutyl)-2-(trifluoromethyl)quinolin-4-one is O=c1cc(C(F)(F)F)n(CCCCN2CCCC2)c2ccc(F)cc12.
What is the InChIKey of 6-fluoro-1-(4-pyrrolidin-1-ylbutyl)-2-(trifluoromethyl)quinolin-4-one?
The InChIKey is DYQRLWJIPSZIES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F4N2O/c19-13-5-6-15-14(11-13)16(25)12-17(18(20,21)22)24(15)10-4-3-9-23-7-1-2-8-23/h5-6,11-12H,1-4,7-10H2.
What are the key properties of 6-fluoro-1-(4-pyrrolidin-1-ylbutyl)-2-(trifluoromethyl)quinolin-4-one?
6-fluoro-1-(4-pyrrolidin-1-ylbutyl)-2-(trifluoromethyl)quinolin-4-one has a molecular weight of 356.36 g/mol, XLogP of 4.04, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-(4-pyrrolidin-1-ylbutyl)-2-(trifluoromethyl)quinolin-4-one is sourced from PubChem (CID 71624726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).