4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-(4-fluorophenyl)pyrrolidin-2-one

C20H19FN2O2 — CID 6493316

IUPAC4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-(4-fluorophenyl)pyrrolidin-2-one
SMILESO=C1CC(C(=O)N2CCCc3ccccc32)CN1c1ccc(F)cc1
InChIInChI=1S/C20H19FN2O2/c21-16-7-9-17(10-8-16)23-13-15(12-19(23)24)20(25)22-11-3-5-14-4-1-2-6-18(14)22/h1-2,4,6-10,15H,3,5,11-13H2
InChIKeyDGGLFQYAHHHSFY-UHFFFAOYSA-N
MW338.38 g/mol
LogP3.16
Rot. Bonds2

About 4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-(4-fluorophenyl)pyrrolidin-2-one

4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-(4-fluorophenyl)pyrrolidin-2-one (PubChem CID 6493316) has the molecular formula C20H19FN2O2 and a molecular weight of 338.38 g/mol. Its IUPAC name is 4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-(4-fluorophenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-(4-fluorophenyl)pyrrolidin-2-one
PubChem CID6493316
Molecular FormulaC20H19FN2O2
Molecular Weight338.38 g/mol
Exact Mass338.14
IUPAC Name4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-(4-fluorophenyl)pyrrolidin-2-one
SMILESO=C1CC(C(=O)N2CCCc3ccccc32)CN1c1ccc(F)cc1
InChIInChI=1S/C20H19FN2O2/c21-16-7-9-17(10-8-16)23-13-15(12-19(23)24)20(25)22-11-3-5-14-4-1-2-6-18(14)22/h1-2,4,6-10,15H,3,5,11-13H2
InChIKeyDGGLFQYAHHHSFY-UHFFFAOYSA-N
XLogP3.16
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.38
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-(4-fluorophenyl)pyrrolidin-2-one?
The IUPAC name of 4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-(4-fluorophenyl)pyrrolidin-2-one (CID 6493316) is 4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-(4-fluorophenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-(4-fluorophenyl)pyrrolidin-2-one?
The canonical SMILES for 4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-(4-fluorophenyl)pyrrolidin-2-one is O=C1CC(C(=O)N2CCCc3ccccc32)CN1c1ccc(F)cc1.
What is the InChIKey of 4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-(4-fluorophenyl)pyrrolidin-2-one?
The InChIKey is DGGLFQYAHHHSFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O2/c21-16-7-9-17(10-8-16)23-13-15(12-19(23)24)20(25)22-11-3-5-14-4-1-2-6-18(14)22/h1-2,4,6-10,15H,3,5,11-13H2.
What are the key properties of 4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-(4-fluorophenyl)pyrrolidin-2-one?
4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-(4-fluorophenyl)pyrrolidin-2-one has a molecular weight of 338.38 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-(4-fluorophenyl)pyrrolidin-2-one is sourced from PubChem (CID 6493316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).