1-(3-chloro-4-fluorophenyl)-5-oxo-N-quinolin-8-ylpyrrolidine-3-carboxamide

C20H15ClFN3O2 — CID 113187858

IUPAC1-(3-chloro-4-fluorophenyl)-5-oxo-N-quinolin-8-ylpyrrolidine-3-carboxamide
SMILESO=C(Nc1cccc2cccnc12)C1CC(=O)N(c2ccc(F)c(Cl)c2)C1
InChIInChI=1S/C20H15ClFN3O2/c21-15-10-14(6-7-16(15)22)25-11-13(9-18(25)26)20(27)24-17-5-1-3-12-4-2-8-23-19(12)17/h1-8,10,13H,9,11H2,(H,24,27)
InChIKeyBFGRSLYBMVOVFA-UHFFFAOYSA-N
MW383.81 g/mol
LogP4.02
Rot. Bonds3

About 1-(3-chloro-4-fluorophenyl)-5-oxo-N-quinolin-8-ylpyrrolidine-3-carboxamide

1-(3-chloro-4-fluorophenyl)-5-oxo-N-quinolin-8-ylpyrrolidine-3-carboxamide (PubChem CID 113187858) has the molecular formula C20H15ClFN3O2 and a molecular weight of 383.81 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-5-oxo-N-quinolin-8-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-5-oxo-N-quinolin-8-ylpyrrolidine-3-carboxamide
PubChem CID113187858
Molecular FormulaC20H15ClFN3O2
Molecular Weight383.81 g/mol
Exact Mass383.08
IUPAC Name1-(3-chloro-4-fluorophenyl)-5-oxo-N-quinolin-8-ylpyrrolidine-3-carboxamide
SMILESO=C(Nc1cccc2cccnc12)C1CC(=O)N(c2ccc(F)c(Cl)c2)C1
InChIInChI=1S/C20H15ClFN3O2/c21-15-10-14(6-7-16(15)22)25-11-13(9-18(25)26)20(27)24-17-5-1-3-12-4-2-8-23-19(12)17/h1-8,10,13H,9,11H2,(H,24,27)
InChIKeyBFGRSLYBMVOVFA-UHFFFAOYSA-N
XLogP4.02
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.81
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromophenyl)-5-oxo-N-quinolin-8-ylpyrrolidine-3-carboxamide
CID 46581777
1-(4-cyanophenyl)-5-oxo-N-quinolin-8-ylpyrrolidine-3-carboxamide
CID 113192052
N-(4-bromo-2-fluorophenyl)-1-(3-chloro-4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 17225392
N-(2,6-difluorophenyl)-5-oxo-1-quinolin-8-ylpyrrolidine-3-carboxamide
CID 113190625
1-(3-chloro-4-fluorophenyl)-N-(4-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 17225475
(3S)-1-(2-methoxy-5-methylphenyl)-5-oxo-N-quinolin-8-ylpyrrolidine-3-carboxamide
CID 9107582
(3S)-1-(4-chlorophenyl)-N-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 1077272
N-(3-chloro-2-methylphenyl)-1-(3-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42939717
(3S)-1-(3-chloro-4-fluorophenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 776720
1-(3-chloro-4-fluorophenyl)-N-(3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 17225383
1-(3-chlorophenyl)-5-oxo-N-pyrimidin-2-ylpyrrolidine-3-carboxamide
CID 42953054
N-(3-chloro-4-fluorophenyl)-1-(3-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 113190173

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-5-oxo-N-quinolin-8-ylpyrrolidine-3-carboxamide?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-5-oxo-N-quinolin-8-ylpyrrolidine-3-carboxamide (CID 113187858) is 1-(3-chloro-4-fluorophenyl)-5-oxo-N-quinolin-8-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-5-oxo-N-quinolin-8-ylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-5-oxo-N-quinolin-8-ylpyrrolidine-3-carboxamide is O=C(Nc1cccc2cccnc12)C1CC(=O)N(c2ccc(F)c(Cl)c2)C1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-5-oxo-N-quinolin-8-ylpyrrolidine-3-carboxamide?
The InChIKey is BFGRSLYBMVOVFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClFN3O2/c21-15-10-14(6-7-16(15)22)25-11-13(9-18(25)26)20(27)24-17-5-1-3-12-4-2-8-23-19(12)17/h1-8,10,13H,9,11H2,(H,24,27).
What are the key properties of 1-(3-chloro-4-fluorophenyl)-5-oxo-N-quinolin-8-ylpyrrolidine-3-carboxamide?
1-(3-chloro-4-fluorophenyl)-5-oxo-N-quinolin-8-ylpyrrolidine-3-carboxamide has a molecular weight of 383.81 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)-5-oxo-N-quinolin-8-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 113187858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).