1-[2-[3-(4-fluorophenyl)pyrrolidin-1-yl]-2-oxoethyl]quinolin-4-one

C21H19FN2O2 — CID 91767931

IUPAC1-[2-[3-(4-fluorophenyl)pyrrolidin-1-yl]-2-oxoethyl]quinolin-4-one
SMILESO=C(Cn1ccc(=O)c2ccccc21)N1CCC(c2ccc(F)cc2)C1
InChIInChI=1S/C21H19FN2O2/c22-17-7-5-15(6-8-17)16-9-11-24(13-16)21(26)14-23-12-10-20(25)18-3-1-2-4-19(18)23/h1-8,10,12,16H,9,11,13-14H2
InChIKeyYDVMIYIJLNNOOQ-UHFFFAOYSA-N
MW350.39 g/mol
LogP3.16
Rot. Bonds3

About 1-[2-[3-(4-fluorophenyl)pyrrolidin-1-yl]-2-oxoethyl]quinolin-4-one

1-[2-[3-(4-fluorophenyl)pyrrolidin-1-yl]-2-oxoethyl]quinolin-4-one (PubChem CID 91767931) has the molecular formula C21H19FN2O2 and a molecular weight of 350.39 g/mol. Its IUPAC name is 1-[2-[3-(4-fluorophenyl)pyrrolidin-1-yl]-2-oxoethyl]quinolin-4-one.

Molecular Properties

Compound Name1-[2-[3-(4-fluorophenyl)pyrrolidin-1-yl]-2-oxoethyl]quinolin-4-one
PubChem CID91767931
Molecular FormulaC21H19FN2O2
Molecular Weight350.39 g/mol
Exact Mass350.14
IUPAC Name1-[2-[3-(4-fluorophenyl)pyrrolidin-1-yl]-2-oxoethyl]quinolin-4-one
SMILESO=C(Cn1ccc(=O)c2ccccc21)N1CCC(c2ccc(F)cc2)C1
InChIInChI=1S/C21H19FN2O2/c22-17-7-5-15(6-8-17)16-9-11-24(13-16)21(26)14-23-12-10-20(25)18-3-1-2-4-19(18)23/h1-8,10,12,16H,9,11,13-14H2
InChIKeyYDVMIYIJLNNOOQ-UHFFFAOYSA-N
XLogP3.16
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.39
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3R)-1-[2-(4-oxoquinolin-1-yl)acetyl]piperidin-3-yl]benzoic acid
CID 97194322
1-[2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-2-oxoethyl]quinolin-4-one
CID 95588154
1-[2-[(3R)-3-aminopiperidin-1-yl]-2-oxoethyl]quinolin-4-one
CID 124622920
1-[2-[3-(2-fluorophenoxy)azetidin-1-yl]-2-oxoethyl]quinolin-4-one
CID 90651811
3-methyl-1-[2-(4-oxoquinolin-1-yl)acetyl]azetidine-3-carboxamide
CID 138002600
1-[2-(azepan-1-yl)-2-oxoethyl]-6-fluoroquinolin-4-one
CID 100743617
1-[2-oxo-2-[(2R)-2-propanoylpiperidin-1-yl]ethyl]quinolin-4-one
CID 97330448
1-[3-(4-fluorophenyl)pyrrolidin-1-yl]-2-(tetrazol-1-yl)ethanone
CID 70729161
1-[2-[2-(4-fluorophenyl)morpholin-4-yl]-2-oxoethyl]cinnolin-4-one
CID 134044292
1-[2-(6-fluoro-6-methyl-1,4-diazepan-1-yl)-2-oxoethyl]quinolin-4-one
CID 138001603
1-[2-[(2S)-2,4-dimethylpiperazin-1-yl]-2-oxoethyl]quinolin-4-one
CID 97093863
4-[1-[2-(2-oxo-1-pyridinyl)acetyl]piperidin-3-yl]benzoic acid
CID 72852455

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(4-fluorophenyl)pyrrolidin-1-yl]-2-oxoethyl]quinolin-4-one?
The IUPAC name of 1-[2-[3-(4-fluorophenyl)pyrrolidin-1-yl]-2-oxoethyl]quinolin-4-one (CID 91767931) is 1-[2-[3-(4-fluorophenyl)pyrrolidin-1-yl]-2-oxoethyl]quinolin-4-one.
What is the SMILES notation for 1-[2-[3-(4-fluorophenyl)pyrrolidin-1-yl]-2-oxoethyl]quinolin-4-one?
The canonical SMILES for 1-[2-[3-(4-fluorophenyl)pyrrolidin-1-yl]-2-oxoethyl]quinolin-4-one is O=C(Cn1ccc(=O)c2ccccc21)N1CCC(c2ccc(F)cc2)C1.
What is the InChIKey of 1-[2-[3-(4-fluorophenyl)pyrrolidin-1-yl]-2-oxoethyl]quinolin-4-one?
The InChIKey is YDVMIYIJLNNOOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O2/c22-17-7-5-15(6-8-17)16-9-11-24(13-16)21(26)14-23-12-10-20(25)18-3-1-2-4-19(18)23/h1-8,10,12,16H,9,11,13-14H2.
What are the key properties of 1-[2-[3-(4-fluorophenyl)pyrrolidin-1-yl]-2-oxoethyl]quinolin-4-one?
1-[2-[3-(4-fluorophenyl)pyrrolidin-1-yl]-2-oxoethyl]quinolin-4-one has a molecular weight of 350.39 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(4-fluorophenyl)pyrrolidin-1-yl]-2-oxoethyl]quinolin-4-one is sourced from PubChem (CID 91767931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).