1-[2-(4-aminophenoxy)-1-(4-fluorophenyl)-2-quinolin-4-ylethyl]pyrrolidin-2-one

C27H24FN3O2 — CID 89016860

IUPAC1-[2-(4-aminophenoxy)-1-(4-fluorophenyl)-2-quinolin-4-ylethyl]pyrrolidin-2-one
SMILESNc1ccc(OC(c2ccnc3ccccc23)C(c2ccc(F)cc2)N2CCCC2=O)cc1
InChIInChI=1S/C27H24FN3O2/c28-19-9-7-18(8-10-19)26(31-17-3-6-25(31)32)27(33-21-13-11-20(29)12-14-21)23-15-16-30-24-5-2-1-4-22(23)24/h1-2,4-5,7-16,26-27H,3,6,17,29H2
InChIKeyFUKZKEREGWGHBD-UHFFFAOYSA-N
MW441.51 g/mol
LogP5.44
Rot. Bonds6

About 1-[2-(4-aminophenoxy)-1-(4-fluorophenyl)-2-quinolin-4-ylethyl]pyrrolidin-2-one

1-[2-(4-aminophenoxy)-1-(4-fluorophenyl)-2-quinolin-4-ylethyl]pyrrolidin-2-one (PubChem CID 89016860) has the molecular formula C27H24FN3O2 and a molecular weight of 441.51 g/mol. Its IUPAC name is 1-[2-(4-aminophenoxy)-1-(4-fluorophenyl)-2-quinolin-4-ylethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-(4-aminophenoxy)-1-(4-fluorophenyl)-2-quinolin-4-ylethyl]pyrrolidin-2-one
PubChem CID89016860
Molecular FormulaC27H24FN3O2
Molecular Weight441.51 g/mol
Exact Mass441.19
IUPAC Name1-[2-(4-aminophenoxy)-1-(4-fluorophenyl)-2-quinolin-4-ylethyl]pyrrolidin-2-one
SMILESNc1ccc(OC(c2ccnc3ccccc23)C(c2ccc(F)cc2)N2CCCC2=O)cc1
InChIInChI=1S/C27H24FN3O2/c28-19-9-7-18(8-10-19)26(31-17-3-6-25(31)32)27(33-21-13-11-20(29)12-14-21)23-15-16-30-24-5-2-1-4-22(23)24/h1-2,4-5,7-16,26-27H,3,6,17,29H2
InChIKeyFUKZKEREGWGHBD-UHFFFAOYSA-N
XLogP5.44
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.51
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[(1S,2R)-1-(4-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)-2-quinolin-8-ylethoxy]benzonitrile
CID 59552040
1-[(1S,2S)-2-(4-fluorophenyl)-1-phenyl-2-propoxyethyl]pyrrolidin-2-one
CID 59552081
1-[(1R,2S)-1-(4-fluorophenyl)-2-[4-(methyliminomethyl)phenoxy]-2-[4-(trifluoromethoxy)phenyl]ethyl]pyrrolidin-2-one
CID 162553088
1-[(1R,2S)-1,2-diphenyl-2-pyridin-2-yloxyethyl]pyrrolidin-2-one
CID 59552004
1-[(1S)-2-(3,4-difluorophenyl)-1-(4-fluorophenyl)-2-methoxyethyl]pyrrolidin-2-one
CID 143373091
[(4-fluorophenyl)-quinolin-4-ylmethyl]hydrazine
CID 105284020
4-[(1S,2R)-1-(4-chlorophenyl)-2-(2-oxopyrrolidin-1-yl)-2-phenylethoxy]benzonitrile
CID 59551979
1-[(1S)-2-(cyclopropylmethoxy)-2-(3,5-difluorophenyl)-1-(4-fluorophenyl)ethyl]pyrrolidin-2-one
CID 143373042
1-[(1R,2S)-2-[(4-chlorophenyl)methoxy]-2-(3,4-difluorophenyl)-1-(4-fluorophenyl)ethyl]pyrrolidin-2-one
CID 59552028
1-[1H-indol-3-yl-(4-methoxyphenyl)methyl]pyrrolidin-2-one
CID 71469809
1-[1-(4-fluorophenyl)-2-naphthalen-1-ylethyl]pyrrolidin-2-one
CID 143373011
1-[(1S,2R)-2-(cyclopropylmethoxy)-2-(4-ethynylphenyl)-1-(4-fluorophenyl)ethyl]pyrrolidin-2-one
CID 89016853

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-aminophenoxy)-1-(4-fluorophenyl)-2-quinolin-4-ylethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-(4-aminophenoxy)-1-(4-fluorophenyl)-2-quinolin-4-ylethyl]pyrrolidin-2-one (CID 89016860) is 1-[2-(4-aminophenoxy)-1-(4-fluorophenyl)-2-quinolin-4-ylethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-(4-aminophenoxy)-1-(4-fluorophenyl)-2-quinolin-4-ylethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-(4-aminophenoxy)-1-(4-fluorophenyl)-2-quinolin-4-ylethyl]pyrrolidin-2-one is Nc1ccc(OC(c2ccnc3ccccc23)C(c2ccc(F)cc2)N2CCCC2=O)cc1.
What is the InChIKey of 1-[2-(4-aminophenoxy)-1-(4-fluorophenyl)-2-quinolin-4-ylethyl]pyrrolidin-2-one?
The InChIKey is FUKZKEREGWGHBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24FN3O2/c28-19-9-7-18(8-10-19)26(31-17-3-6-25(31)32)27(33-21-13-11-20(29)12-14-21)23-15-16-30-24-5-2-1-4-22(23)24/h1-2,4-5,7-16,26-27H,3,6,17,29H2.
What are the key properties of 1-[2-(4-aminophenoxy)-1-(4-fluorophenyl)-2-quinolin-4-ylethyl]pyrrolidin-2-one?
1-[2-(4-aminophenoxy)-1-(4-fluorophenyl)-2-quinolin-4-ylethyl]pyrrolidin-2-one has a molecular weight of 441.51 g/mol, XLogP of 5.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-aminophenoxy)-1-(4-fluorophenyl)-2-quinolin-4-ylethyl]pyrrolidin-2-one is sourced from PubChem (CID 89016860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).