[4-(4-fluorophenyl)phenyl]-(3-quinolin-8-yloxypyrrolidin-1-yl)methanone

C26H21FN2O2 — CID 121157245

IUPAC[4-(4-fluorophenyl)phenyl]-(3-quinolin-8-yloxypyrrolidin-1-yl)methanone
SMILESO=C(c1ccc(-c2ccc(F)cc2)cc1)N1CCC(Oc2cccc3cccnc23)C1
InChIInChI=1S/C26H21FN2O2/c27-22-12-10-19(11-13-22)18-6-8-21(9-7-18)26(30)29-16-14-23(17-29)31-24-5-1-3-20-4-2-15-28-25(20)24/h1-13,15,23H,14,16-17H2
InChIKeyJTBUBJZVYQFNMX-UHFFFAOYSA-N
MW412.46 g/mol
LogP5.33
Rot. Bonds4

About [4-(4-fluorophenyl)phenyl]-(3-quinolin-8-yloxypyrrolidin-1-yl)methanone

[4-(4-fluorophenyl)phenyl]-(3-quinolin-8-yloxypyrrolidin-1-yl)methanone (PubChem CID 121157245) has the molecular formula C26H21FN2O2 and a molecular weight of 412.46 g/mol. Its IUPAC name is [4-(4-fluorophenyl)phenyl]-(3-quinolin-8-yloxypyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[4-(4-fluorophenyl)phenyl]-(3-quinolin-8-yloxypyrrolidin-1-yl)methanone
PubChem CID121157245
Molecular FormulaC26H21FN2O2
Molecular Weight412.46 g/mol
Exact Mass412.16
IUPAC Name[4-(4-fluorophenyl)phenyl]-(3-quinolin-8-yloxypyrrolidin-1-yl)methanone
SMILESO=C(c1ccc(-c2ccc(F)cc2)cc1)N1CCC(Oc2cccc3cccnc23)C1
InChIInChI=1S/C26H21FN2O2/c27-22-12-10-19(11-13-22)18-6-8-21(9-7-18)26(30)29-16-14-23(17-29)31-24-5-1-3-20-4-2-15-28-25(20)24/h1-13,15,23H,14,16-17H2
InChIKeyJTBUBJZVYQFNMX-UHFFFAOYSA-N
XLogP5.33
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.46
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(4-methylphenyl)phenyl]-(3-quinolin-8-yloxypyrrolidin-1-yl)methanone
CID 121157244
[(3R)-3-quinolin-8-yloxypyrrolidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 124728047
(3-pyridin-4-yloxypyrrolidin-1-yl)-(4-quinolin-8-ylphenyl)methanone
CID 166194792
2-(4-phenylphenyl)-1-(3-quinolin-8-yloxypyrrolidin-1-yl)ethanone
CID 121157257
(3R)-N-ethyl-3-quinolin-8-yloxypyrrolidine-1-carboxamide
CID 124863649
2,2-dimethyl-1-[(3R)-3-quinolin-8-yloxypyrrolidin-1-yl]propan-1-one
CID 124846967
(3-phenylmethoxyphenyl)-(3-quinolin-8-yloxypyrrolidin-1-yl)methanone
CID 121157254
furan-3-yl-(4-quinolin-8-yloxypiperidin-1-yl)methanone
CID 91625340
2-fluoro-N-[4-(4-quinolin-8-yloxypiperidine-1-carbonyl)phenyl]benzenesulfonamide
CID 121157276
2-pyridin-3-yl-1-[(3S)-3-quinolin-8-yloxypyrrolidin-1-yl]ethanone
CID 124760974
2-(4-bromophenyl)-1-[(3S)-3-quinolin-8-yloxypyrrolidin-1-yl]ethanone
CID 124760007
(3-quinolin-8-yloxypiperidin-1-yl)-[2-(triazol-2-yl)phenyl]methanone
CID 143981180

Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)phenyl]-(3-quinolin-8-yloxypyrrolidin-1-yl)methanone?
The IUPAC name of [4-(4-fluorophenyl)phenyl]-(3-quinolin-8-yloxypyrrolidin-1-yl)methanone (CID 121157245) is [4-(4-fluorophenyl)phenyl]-(3-quinolin-8-yloxypyrrolidin-1-yl)methanone.
What is the SMILES notation for [4-(4-fluorophenyl)phenyl]-(3-quinolin-8-yloxypyrrolidin-1-yl)methanone?
The canonical SMILES for [4-(4-fluorophenyl)phenyl]-(3-quinolin-8-yloxypyrrolidin-1-yl)methanone is O=C(c1ccc(-c2ccc(F)cc2)cc1)N1CCC(Oc2cccc3cccnc23)C1.
What is the InChIKey of [4-(4-fluorophenyl)phenyl]-(3-quinolin-8-yloxypyrrolidin-1-yl)methanone?
The InChIKey is JTBUBJZVYQFNMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21FN2O2/c27-22-12-10-19(11-13-22)18-6-8-21(9-7-18)26(30)29-16-14-23(17-29)31-24-5-1-3-20-4-2-15-28-25(20)24/h1-13,15,23H,14,16-17H2.
What are the key properties of [4-(4-fluorophenyl)phenyl]-(3-quinolin-8-yloxypyrrolidin-1-yl)methanone?
[4-(4-fluorophenyl)phenyl]-(3-quinolin-8-yloxypyrrolidin-1-yl)methanone has a molecular weight of 412.46 g/mol, XLogP of 5.33, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)phenyl]-(3-quinolin-8-yloxypyrrolidin-1-yl)methanone is sourced from PubChem (CID 121157245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).