3-[[(4-fluorophenyl)methylamino]methyl]-1-(2-hydroxyethyl)-7,8-dihydro-6H-cyclopenta[g]quinolin-2-one

C22H23FN2O2 — CID 143364786

IUPAC3-[[(4-fluorophenyl)methylamino]methyl]-1-(2-hydroxyethyl)-7,8-dihydro-6H-cyclopenta[g]quinolin-2-one
SMILESO=c1c(CNCc2ccc(F)cc2)cc2cc3c(cc2n1CCO)CCC3
InChIInChI=1S/C22H23FN2O2/c23-20-6-4-15(5-7-20)13-24-14-19-11-18-10-16-2-1-3-17(16)12-21(18)25(8-9-26)22(19)27/h4-7,10-12,24,26H,1-3,8-9,13-14H2
InChIKeyZIFIOLZFZMFKTF-UHFFFAOYSA-N
MW366.44 g/mol
LogP2.91
Rot. Bonds6

About 3-[[(4-fluorophenyl)methylamino]methyl]-1-(2-hydroxyethyl)-7,8-dihydro-6H-cyclopenta[g]quinolin-2-one

3-[[(4-fluorophenyl)methylamino]methyl]-1-(2-hydroxyethyl)-7,8-dihydro-6H-cyclopenta[g]quinolin-2-one (PubChem CID 143364786) has the molecular formula C22H23FN2O2 and a molecular weight of 366.44 g/mol. Its IUPAC name is 3-[[(4-fluorophenyl)methylamino]methyl]-1-(2-hydroxyethyl)-7,8-dihydro-6H-cyclopenta[g]quinolin-2-one.

Molecular Properties

Compound Name3-[[(4-fluorophenyl)methylamino]methyl]-1-(2-hydroxyethyl)-7,8-dihydro-6H-cyclopenta[g]quinolin-2-one
PubChem CID143364786
Molecular FormulaC22H23FN2O2
Molecular Weight366.44 g/mol
Exact Mass366.17
IUPAC Name3-[[(4-fluorophenyl)methylamino]methyl]-1-(2-hydroxyethyl)-7,8-dihydro-6H-cyclopenta[g]quinolin-2-one
SMILESO=c1c(CNCc2ccc(F)cc2)cc2cc3c(cc2n1CCO)CCC3
InChIInChI=1S/C22H23FN2O2/c23-20-6-4-15(5-7-20)13-24-14-19-11-18-10-16-2-1-3-17(16)12-21(18)25(8-9-26)22(19)27/h4-7,10-12,24,26H,1-3,8-9,13-14H2
InChIKeyZIFIOLZFZMFKTF-UHFFFAOYSA-N
XLogP2.91
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[[(4-fluorophenyl)methylamino]methyl]-1-(2-hydroxyethyl)-7,8-dihydro-6H-cyclopenta[g]quinolin-2-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 3-[[(4-fluorophenyl)methylamino]methyl]-1-(2-hydroxyethyl)-7,8-dihydro-6H-cyclopenta[g]quinolin-2-one?
The IUPAC name of 3-[[(4-fluorophenyl)methylamino]methyl]-1-(2-hydroxyethyl)-7,8-dihydro-6H-cyclopenta[g]quinolin-2-one (CID 143364786) is 3-[[(4-fluorophenyl)methylamino]methyl]-1-(2-hydroxyethyl)-7,8-dihydro-6H-cyclopenta[g]quinolin-2-one.
What is the SMILES notation for 3-[[(4-fluorophenyl)methylamino]methyl]-1-(2-hydroxyethyl)-7,8-dihydro-6H-cyclopenta[g]quinolin-2-one?
The canonical SMILES for 3-[[(4-fluorophenyl)methylamino]methyl]-1-(2-hydroxyethyl)-7,8-dihydro-6H-cyclopenta[g]quinolin-2-one is O=c1c(CNCc2ccc(F)cc2)cc2cc3c(cc2n1CCO)CCC3.
What is the InChIKey of 3-[[(4-fluorophenyl)methylamino]methyl]-1-(2-hydroxyethyl)-7,8-dihydro-6H-cyclopenta[g]quinolin-2-one?
The InChIKey is ZIFIOLZFZMFKTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O2/c23-20-6-4-15(5-7-20)13-24-14-19-11-18-10-16-2-1-3-17(16)12-21(18)25(8-9-26)22(19)27/h4-7,10-12,24,26H,1-3,8-9,13-14H2.
What are the key properties of 3-[[(4-fluorophenyl)methylamino]methyl]-1-(2-hydroxyethyl)-7,8-dihydro-6H-cyclopenta[g]quinolin-2-one?
3-[[(4-fluorophenyl)methylamino]methyl]-1-(2-hydroxyethyl)-7,8-dihydro-6H-cyclopenta[g]quinolin-2-one has a molecular weight of 366.44 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(4-fluorophenyl)methylamino]methyl]-1-(2-hydroxyethyl)-7,8-dihydro-6H-cyclopenta[g]quinolin-2-one is sourced from PubChem (CID 143364786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).