1-[3-(3,3-dimethyl-2,4-dihydro-1H-quinolin-2-yl)-5-fluorophenyl]pyrrolidin-2-one

C21H23FN2O — CID 141309284

IUPAC1-[3-(3,3-dimethyl-2,4-dihydro-1H-quinolin-2-yl)-5-fluorophenyl]pyrrolidin-2-one
SMILESCC1(C)Cc2ccccc2NC1c1cc(F)cc(N2CCCC2=O)c1
InChIInChI=1S/C21H23FN2O/c1-21(2)13-14-6-3-4-7-18(14)23-20(21)15-10-16(22)12-17(11-15)24-9-5-8-19(24)25/h3-4,6-7,10-12,20,23H,5,8-9,13H2,1-2H3
InChIKeyFQADRQUYYIUUQW-UHFFFAOYSA-N
MW338.43 g/mol
LogP4.69
Rot. Bonds2

About 1-[3-(3,3-dimethyl-2,4-dihydro-1H-quinolin-2-yl)-5-fluorophenyl]pyrrolidin-2-one

1-[3-(3,3-dimethyl-2,4-dihydro-1H-quinolin-2-yl)-5-fluorophenyl]pyrrolidin-2-one (PubChem CID 141309284) has the molecular formula C21H23FN2O and a molecular weight of 338.43 g/mol. Its IUPAC name is 1-[3-(3,3-dimethyl-2,4-dihydro-1H-quinolin-2-yl)-5-fluorophenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-(3,3-dimethyl-2,4-dihydro-1H-quinolin-2-yl)-5-fluorophenyl]pyrrolidin-2-one
PubChem CID141309284
Molecular FormulaC21H23FN2O
Molecular Weight338.43 g/mol
Exact Mass338.18
IUPAC Name1-[3-(3,3-dimethyl-2,4-dihydro-1H-quinolin-2-yl)-5-fluorophenyl]pyrrolidin-2-one
SMILESCC1(C)Cc2ccccc2NC1c1cc(F)cc(N2CCCC2=O)c1
InChIInChI=1S/C21H23FN2O/c1-21(2)13-14-6-3-4-7-18(14)23-20(21)15-10-16(22)12-17(11-15)24-9-5-8-19(24)25/h3-4,6-7,10-12,20,23H,5,8-9,13H2,1-2H3
InChIKeyFQADRQUYYIUUQW-UHFFFAOYSA-N
XLogP4.69
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[3-(3,3-dimethyl-2,4-dihydro-1H-quinolin-2-yl)-5-fluorophenyl]pyrrolidin-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 1-[3-(3,3-dimethyl-2,4-dihydro-1H-quinolin-2-yl)-5-fluorophenyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-(3,3-dimethyl-2,4-dihydro-1H-quinolin-2-yl)-5-fluorophenyl]pyrrolidin-2-one (CID 141309284) is 1-[3-(3,3-dimethyl-2,4-dihydro-1H-quinolin-2-yl)-5-fluorophenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-(3,3-dimethyl-2,4-dihydro-1H-quinolin-2-yl)-5-fluorophenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-(3,3-dimethyl-2,4-dihydro-1H-quinolin-2-yl)-5-fluorophenyl]pyrrolidin-2-one is CC1(C)Cc2ccccc2NC1c1cc(F)cc(N2CCCC2=O)c1.
What is the InChIKey of 1-[3-(3,3-dimethyl-2,4-dihydro-1H-quinolin-2-yl)-5-fluorophenyl]pyrrolidin-2-one?
The InChIKey is FQADRQUYYIUUQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O/c1-21(2)13-14-6-3-4-7-18(14)23-20(21)15-10-16(22)12-17(11-15)24-9-5-8-19(24)25/h3-4,6-7,10-12,20,23H,5,8-9,13H2,1-2H3.
What are the key properties of 1-[3-(3,3-dimethyl-2,4-dihydro-1H-quinolin-2-yl)-5-fluorophenyl]pyrrolidin-2-one?
1-[3-(3,3-dimethyl-2,4-dihydro-1H-quinolin-2-yl)-5-fluorophenyl]pyrrolidin-2-one has a molecular weight of 338.43 g/mol, XLogP of 4.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,3-dimethyl-2,4-dihydro-1H-quinolin-2-yl)-5-fluorophenyl]pyrrolidin-2-one is sourced from PubChem (CID 141309284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).