4-(2-fluoro-4-methoxyphenyl)-8-methyl-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinolin-2-one

C21H23FN2O2 — CID 169416064

IUPAC4-(2-fluoro-4-methoxyphenyl)-8-methyl-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinolin-2-one
SMILESCOc1ccc(C2CC(=O)Nc3c2ccc(N2CCCC2)c3C)c(F)c1
InChIInChI=1S/C21H23FN2O2/c1-13-19(24-9-3-4-10-24)8-7-16-17(12-20(25)23-21(13)16)15-6-5-14(26-2)11-18(15)22/h5-8,11,17H,3-4,9-10,12H2,1-2H3,(H,23,25)
InChIKeyOOJGOFTUDQGFKX-UHFFFAOYSA-N
MW354.43 g/mol
LogP4.22
Rot. Bonds3

About 4-(2-fluoro-4-methoxyphenyl)-8-methyl-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinolin-2-one

4-(2-fluoro-4-methoxyphenyl)-8-methyl-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinolin-2-one (PubChem CID 169416064) has the molecular formula C21H23FN2O2 and a molecular weight of 354.43 g/mol. Its IUPAC name is 4-(2-fluoro-4-methoxyphenyl)-8-methyl-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name4-(2-fluoro-4-methoxyphenyl)-8-methyl-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinolin-2-one
PubChem CID169416064
Molecular FormulaC21H23FN2O2
Molecular Weight354.43 g/mol
Exact Mass354.17
IUPAC Name4-(2-fluoro-4-methoxyphenyl)-8-methyl-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinolin-2-one
SMILESCOc1ccc(C2CC(=O)Nc3c2ccc(N2CCCC2)c3C)c(F)c1
InChIInChI=1S/C21H23FN2O2/c1-13-19(24-9-3-4-10-24)8-7-16-17(12-20(25)23-21(13)16)15-6-5-14(26-2)11-18(15)22/h5-8,11,17H,3-4,9-10,12H2,1-2H3,(H,23,25)
InChIKeyOOJGOFTUDQGFKX-UHFFFAOYSA-N
XLogP4.22
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(2-fluoro-4-methoxyphenyl)-8-methyl-7-pyrrolidin-1-yl-3,4-dihydro-1H-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

Related Compounds

8-methyl-4-(3-methyl-1,2-oxazol-5-yl)-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinolin-2-one
CID 169419497
methyl 4-(8-methyl-2-oxo-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinolin-4-yl)benzoate
CID 169411206
8-methyl-4-[4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinolin-2-one
CID 171908857
ethyl 4-(8-methyl-2-oxo-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinolin-4-yl)-1H-pyrazole-5-carboxylate
CID 50958965
4-[1-(2-methoxyethyl)imidazol-2-yl]-8-methyl-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinolin-2-one
CID 50965454
(4R)-4-[1-(2-methoxyethyl)imidazol-2-yl]-8-methyl-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinolin-2-one
CID 95128655
4-(2,4-difluoro-3-methoxyphenyl)-7-methoxy-6-pyrrolidin-1-yl-3,4-dihydro-1H-quinolin-2-one
CID 171910741
(4S)-4-(2,3-difluorophenyl)-7,8-dimethyl-3,4-dihydro-1H-quinolin-2-one
CID 40645376
(4R)-4-(2-fluoro-4-methoxyphenyl)-1-(furan-2-ylmethyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136899877
N-[4-(2-chloro-4-methoxyphenyl)-8-methyl-2-oxo-3,4-dihydro-1H-quinolin-7-yl]-2-methoxyacetamide
CID 171388531
2-(2-fluoro-4-methoxyphenyl)cycloheptan-1-one
CID 103396633
4-(2-methoxyphenyl)-7,8-dimethyl-3,4-dihydro-1H-quinolin-2-one
CID 2971969

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-4-methoxyphenyl)-8-methyl-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 4-(2-fluoro-4-methoxyphenyl)-8-methyl-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinolin-2-one (CID 169416064) is 4-(2-fluoro-4-methoxyphenyl)-8-methyl-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 4-(2-fluoro-4-methoxyphenyl)-8-methyl-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 4-(2-fluoro-4-methoxyphenyl)-8-methyl-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinolin-2-one is COc1ccc(C2CC(=O)Nc3c2ccc(N2CCCC2)c3C)c(F)c1.
What is the InChIKey of 4-(2-fluoro-4-methoxyphenyl)-8-methyl-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is OOJGOFTUDQGFKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O2/c1-13-19(24-9-3-4-10-24)8-7-16-17(12-20(25)23-21(13)16)15-6-5-14(26-2)11-18(15)22/h5-8,11,17H,3-4,9-10,12H2,1-2H3,(H,23,25).
What are the key properties of 4-(2-fluoro-4-methoxyphenyl)-8-methyl-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinolin-2-one?
4-(2-fluoro-4-methoxyphenyl)-8-methyl-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 354.43 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-4-methoxyphenyl)-8-methyl-7-pyrrolidin-1-yl-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 169416064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).