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

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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).