N-(2,6-difluorophenyl)-5-oxo-1-quinolin-8-ylpyrrolidine-3-carboxamide

C20H15F2N3O2 — CID 113190625

IUPACN-(2,6-difluorophenyl)-5-oxo-1-quinolin-8-ylpyrrolidine-3-carboxamide
SMILESO=C(Nc1c(F)cccc1F)C1CC(=O)N(c2cccc3cccnc23)C1
InChIInChI=1S/C20H15F2N3O2/c21-14-6-2-7-15(22)19(14)24-20(27)13-10-17(26)25(11-13)16-8-1-4-12-5-3-9-23-18(12)16/h1-9,13H,10-11H2,(H,24,27)
InChIKeyBJVWDVFIKFIVNP-UHFFFAOYSA-N
MW367.36 g/mol
LogP3.50
Rot. Bonds3

About N-(2,6-difluorophenyl)-5-oxo-1-quinolin-8-ylpyrrolidine-3-carboxamide

N-(2,6-difluorophenyl)-5-oxo-1-quinolin-8-ylpyrrolidine-3-carboxamide (PubChem CID 113190625) has the molecular formula C20H15F2N3O2 and a molecular weight of 367.36 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-5-oxo-1-quinolin-8-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-5-oxo-1-quinolin-8-ylpyrrolidine-3-carboxamide
PubChem CID113190625
Molecular FormulaC20H15F2N3O2
Molecular Weight367.36 g/mol
Exact Mass367.11
IUPAC NameN-(2,6-difluorophenyl)-5-oxo-1-quinolin-8-ylpyrrolidine-3-carboxamide
SMILESO=C(Nc1c(F)cccc1F)C1CC(=O)N(c2cccc3cccnc23)C1
InChIInChI=1S/C20H15F2N3O2/c21-14-6-2-7-15(22)19(14)24-20(27)13-10-17(26)25(11-13)16-8-1-4-12-5-3-9-23-18(12)16/h1-9,13H,10-11H2,(H,24,27)
InChIKeyBJVWDVFIKFIVNP-UHFFFAOYSA-N
XLogP3.50
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.36
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-ethyl-6-methylphenyl)-5-oxo-1-quinolin-8-ylpyrrolidine-3-carboxamide
CID 113190574
N-(3,5-dimethylphenyl)-5-oxo-1-quinolin-8-ylpyrrolidine-3-carboxamide
CID 113190568
N-(4-cyanophenyl)-5-oxo-1-quinolin-8-ylpyrrolidine-3-carboxamide
CID 113190622
5-oxo-1-quinolin-8-ylpyrrolidine-3-carboxamide
CID 168698201
1-(2,3-dichlorophenyl)-N-(2,6-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 113191409
5-oxo-N-(2-propan-2-yloxyphenyl)-1-quinolin-8-ylpyrrolidine-3-carboxamide
CID 113190599
1-(3-chloro-4-fluorophenyl)-5-oxo-N-quinolin-8-ylpyrrolidine-3-carboxamide
CID 113187858
4-chloro-1-quinolin-8-ylpyrrolidin-2-one
CID 168689599
(3S)-1-(2-methoxy-5-methylphenyl)-5-oxo-N-quinolin-8-ylpyrrolidine-3-carboxamide
CID 9107582
1-(2,6-difluorophenyl)-N-(3-hydroxy-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 154859529
1-(3-bromophenyl)-5-oxo-N-quinolin-8-ylpyrrolidine-3-carboxamide
CID 46581777
N-[2-(cyclohexen-1-yl)ethyl]-5-oxo-1-quinolin-8-ylpyrrolidine-3-carboxamide
CID 113190524

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-5-oxo-1-quinolin-8-ylpyrrolidine-3-carboxamide?
The IUPAC name of N-(2,6-difluorophenyl)-5-oxo-1-quinolin-8-ylpyrrolidine-3-carboxamide (CID 113190625) is N-(2,6-difluorophenyl)-5-oxo-1-quinolin-8-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-5-oxo-1-quinolin-8-ylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(2,6-difluorophenyl)-5-oxo-1-quinolin-8-ylpyrrolidine-3-carboxamide is O=C(Nc1c(F)cccc1F)C1CC(=O)N(c2cccc3cccnc23)C1.
What is the InChIKey of N-(2,6-difluorophenyl)-5-oxo-1-quinolin-8-ylpyrrolidine-3-carboxamide?
The InChIKey is BJVWDVFIKFIVNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2N3O2/c21-14-6-2-7-15(22)19(14)24-20(27)13-10-17(26)25(11-13)16-8-1-4-12-5-3-9-23-18(12)16/h1-9,13H,10-11H2,(H,24,27).
What are the key properties of N-(2,6-difluorophenyl)-5-oxo-1-quinolin-8-ylpyrrolidine-3-carboxamide?
N-(2,6-difluorophenyl)-5-oxo-1-quinolin-8-ylpyrrolidine-3-carboxamide has a molecular weight of 367.36 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-5-oxo-1-quinolin-8-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 113190625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).