4-(8-ethyl-3,4-dihydro-2H-quinoline-1-carbonyl)-1-(4-fluoro-3-nitrophenyl)pyrrolidin-2-one

C22H22FN3O4 — CID 166206560

IUPAC4-(8-ethyl-3,4-dihydro-2H-quinoline-1-carbonyl)-1-(4-fluoro-3-nitrophenyl)pyrrolidin-2-one
SMILESCCc1cccc2c1N(C(=O)C1CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C1)CCC2
InChIInChI=1S/C22H22FN3O4/c1-2-14-5-3-6-15-7-4-10-24(21(14)15)22(28)16-11-20(27)25(13-16)17-8-9-18(23)19(12-17)26(29)30/h3,5-6,8-9,12,16H,2,4,7,10-11,13H2,1H3
InChIKeyMAJGHYZGAUUYFZ-UHFFFAOYSA-N
MW411.43 g/mol
LogP3.63
Rot. Bonds4

About 4-(8-ethyl-3,4-dihydro-2H-quinoline-1-carbonyl)-1-(4-fluoro-3-nitrophenyl)pyrrolidin-2-one

4-(8-ethyl-3,4-dihydro-2H-quinoline-1-carbonyl)-1-(4-fluoro-3-nitrophenyl)pyrrolidin-2-one (PubChem CID 166206560) has the molecular formula C22H22FN3O4 and a molecular weight of 411.43 g/mol. Its IUPAC name is 4-(8-ethyl-3,4-dihydro-2H-quinoline-1-carbonyl)-1-(4-fluoro-3-nitrophenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(8-ethyl-3,4-dihydro-2H-quinoline-1-carbonyl)-1-(4-fluoro-3-nitrophenyl)pyrrolidin-2-one
PubChem CID166206560
Molecular FormulaC22H22FN3O4
Molecular Weight411.43 g/mol
Exact Mass411.16
IUPAC Name4-(8-ethyl-3,4-dihydro-2H-quinoline-1-carbonyl)-1-(4-fluoro-3-nitrophenyl)pyrrolidin-2-one
SMILESCCc1cccc2c1N(C(=O)C1CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C1)CCC2
InChIInChI=1S/C22H22FN3O4/c1-2-14-5-3-6-15-7-4-10-24(21(14)15)22(28)16-11-20(27)25(13-16)17-8-9-18(23)19(12-17)26(29)30/h3,5-6,8-9,12,16H,2,4,7,10-11,13H2,1H3
InChIKeyMAJGHYZGAUUYFZ-UHFFFAOYSA-N
XLogP3.63
TPSA83.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.43
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(6-chloro-3,4-dihydro-2H-quinoline-1-carbonyl)-1-(4-fluoro-3-nitrophenyl)pyrrolidin-2-one
CID 166199165
4-(6-bromo-3,4-dihydro-2H-quinoline-1-carbonyl)-1-(4-fluoro-3-nitrophenyl)pyrrolidin-2-one
CID 167809989
4-(3,4-dihydro-2H-1,6-naphthyridine-1-carbonyl)-1-(4-fluoro-3-nitrophenyl)pyrrolidin-2-one
CID 167784016
1-(4-fluoro-3-nitrophenyl)-5-oxo-N-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrrolidine-3-carboxamide
CID 46538960
N,N-diethyl-4-[1-(4-fluoro-3-nitrophenyl)-5-oxopyrrolidine-3-carbonyl]piperazine-1-sulfonamide
CID 55571165
1-(4-fluoro-3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168697806
1-(4-fluoro-3-nitrophenyl)-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 166194357
1-(1,3-benzodioxol-5-yl)-4-(8-methoxy-3,4-dihydro-2H-quinoline-1-carbonyl)pyrrolidin-2-one
CID 43066707
1-(4-fluoro-3-nitrophenyl)-N-[3-[(2-methoxyacetyl)amino]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 43055957
N-cyclohexyl-1-(4-fluoro-3-nitrophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 55537021
N-cyclooctyl-1-(4-fluoro-3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 46572698
1-(4-fluoro-3-nitrophenyl)-5-oxo-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 46538902

Frequently Asked Questions

What is the IUPAC name of 4-(8-ethyl-3,4-dihydro-2H-quinoline-1-carbonyl)-1-(4-fluoro-3-nitrophenyl)pyrrolidin-2-one?
The IUPAC name of 4-(8-ethyl-3,4-dihydro-2H-quinoline-1-carbonyl)-1-(4-fluoro-3-nitrophenyl)pyrrolidin-2-one (CID 166206560) is 4-(8-ethyl-3,4-dihydro-2H-quinoline-1-carbonyl)-1-(4-fluoro-3-nitrophenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(8-ethyl-3,4-dihydro-2H-quinoline-1-carbonyl)-1-(4-fluoro-3-nitrophenyl)pyrrolidin-2-one?
The canonical SMILES for 4-(8-ethyl-3,4-dihydro-2H-quinoline-1-carbonyl)-1-(4-fluoro-3-nitrophenyl)pyrrolidin-2-one is CCc1cccc2c1N(C(=O)C1CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C1)CCC2.
What is the InChIKey of 4-(8-ethyl-3,4-dihydro-2H-quinoline-1-carbonyl)-1-(4-fluoro-3-nitrophenyl)pyrrolidin-2-one?
The InChIKey is MAJGHYZGAUUYFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O4/c1-2-14-5-3-6-15-7-4-10-24(21(14)15)22(28)16-11-20(27)25(13-16)17-8-9-18(23)19(12-17)26(29)30/h3,5-6,8-9,12,16H,2,4,7,10-11,13H2,1H3.
What are the key properties of 4-(8-ethyl-3,4-dihydro-2H-quinoline-1-carbonyl)-1-(4-fluoro-3-nitrophenyl)pyrrolidin-2-one?
4-(8-ethyl-3,4-dihydro-2H-quinoline-1-carbonyl)-1-(4-fluoro-3-nitrophenyl)pyrrolidin-2-one has a molecular weight of 411.43 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8-ethyl-3,4-dihydro-2H-quinoline-1-carbonyl)-1-(4-fluoro-3-nitrophenyl)pyrrolidin-2-one is sourced from PubChem (CID 166206560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).