2-(4-fluorophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide

C22H20FN3O2 — CID 24612009

IUPAC2-(4-fluorophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide
SMILESO=C(NCC(=O)N1CCCC1)c1cc(-c2ccc(F)cc2)nc2ccccc12
InChIInChI=1S/C22H20FN3O2/c23-16-9-7-15(8-10-16)20-13-18(17-5-1-2-6-19(17)25-20)22(28)24-14-21(27)26-11-3-4-12-26/h1-2,5-10,13H,3-4,11-12,14H2,(H,24,28)
InChIKeyUOGXGOXISUOXNY-UHFFFAOYSA-N
MW377.42 g/mol
LogP3.39
Rot. Bonds4

About 2-(4-fluorophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide

2-(4-fluorophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide (PubChem CID 24612009) has the molecular formula C22H20FN3O2 and a molecular weight of 377.42 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide
PubChem CID24612009
Molecular FormulaC22H20FN3O2
Molecular Weight377.42 g/mol
Exact Mass377.15
IUPAC Name2-(4-fluorophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide
SMILESO=C(NCC(=O)N1CCCC1)c1cc(-c2ccc(F)cc2)nc2ccccc12
InChIInChI=1S/C22H20FN3O2/c23-16-9-7-15(8-10-16)20-13-18(17-5-1-2-6-19(17)25-20)22(28)24-14-21(27)26-11-3-4-12-26/h1-2,5-10,13H,3-4,11-12,14H2,(H,24,28)
InChIKeyUOGXGOXISUOXNY-UHFFFAOYSA-N
XLogP3.39
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-oxo-2-pyrrolidin-1-ylethyl)-2-phenylquinoline-4-carboxamide
CID 46700452
N-(2-oxo-2-pyrrolidin-1-ylethyl)-2-pyridin-3-ylquinoline-4-carboxamide
CID 24612002
[2-(azepan-1-yl)-2-oxoethyl] 2-(4-fluorophenyl)quinoline-4-carboxylate
CID 7780547
2-(4-fluorophenyl)-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]quinoline-4-carboxamide
CID 60545039
2-(4-fluorophenyl)-N-(2-hydroxy-3-morpholin-4-ylpropyl)quinoline-4-carboxamide
CID 112799485
N-[2-(dimethylamino)ethyl]-2-(4-fluorophenyl)quinoline-4-carboxamide
CID 2333756
2-(4-fluorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]quinoline-4-carboxamide
CID 9079495
2-(4-chlorophenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]quinoline-4-carboxamide
CID 9299791
N-[[4-(dimethylcarbamoyl)phenyl]methyl]-2-(4-fluorophenyl)quinoline-4-carboxamide
CID 46541669
2-(4-fluorophenyl)-N-(3-imidazol-1-ylpropyl)quinoline-4-carboxamide
CID 29432371
bis(cyclopentane);bis(2-phenylquinoline-4-carboxylic acid);titanium(2+)
CID 135850214
N'-(cyclopenten-1-yl)-2-(4-fluorophenyl)quinoline-4-carbohydrazide
CID 2318990

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide (CID 24612009) is 2-(4-fluorophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide is O=C(NCC(=O)N1CCCC1)c1cc(-c2ccc(F)cc2)nc2ccccc12.
What is the InChIKey of 2-(4-fluorophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide?
The InChIKey is UOGXGOXISUOXNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O2/c23-16-9-7-15(8-10-16)20-13-18(17-5-1-2-6-19(17)25-20)22(28)24-14-21(27)26-11-3-4-12-26/h1-2,5-10,13H,3-4,11-12,14H2,(H,24,28).
What are the key properties of 2-(4-fluorophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide?
2-(4-fluorophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide has a molecular weight of 377.42 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide is sourced from PubChem (CID 24612009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).