2-(4-phenylphenyl)-1-(3-quinolin-8-yloxypyrrolidin-1-yl)ethanone

C27H24N2O2 — CID 121157257

IUPAC2-(4-phenylphenyl)-1-(3-quinolin-8-yloxypyrrolidin-1-yl)ethanone
SMILESO=C(Cc1ccc(-c2ccccc2)cc1)N1CCC(Oc2cccc3cccnc23)C1
InChIInChI=1S/C27H24N2O2/c30-26(18-20-11-13-22(14-12-20)21-6-2-1-3-7-21)29-17-15-24(19-29)31-25-10-4-8-23-9-5-16-28-27(23)25/h1-14,16,24H,15,17-19H2
InChIKeyXRXYYGDCQRUOGR-UHFFFAOYSA-N
MW408.50 g/mol
LogP5.12
Rot. Bonds5

About 2-(4-phenylphenyl)-1-(3-quinolin-8-yloxypyrrolidin-1-yl)ethanone

2-(4-phenylphenyl)-1-(3-quinolin-8-yloxypyrrolidin-1-yl)ethanone (PubChem CID 121157257) has the molecular formula C27H24N2O2 and a molecular weight of 408.50 g/mol. Its IUPAC name is 2-(4-phenylphenyl)-1-(3-quinolin-8-yloxypyrrolidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-phenylphenyl)-1-(3-quinolin-8-yloxypyrrolidin-1-yl)ethanone
PubChem CID121157257
Molecular FormulaC27H24N2O2
Molecular Weight408.50 g/mol
Exact Mass408.18
IUPAC Name2-(4-phenylphenyl)-1-(3-quinolin-8-yloxypyrrolidin-1-yl)ethanone
SMILESO=C(Cc1ccc(-c2ccccc2)cc1)N1CCC(Oc2cccc3cccnc23)C1
InChIInChI=1S/C27H24N2O2/c30-26(18-20-11-13-22(14-12-20)21-6-2-1-3-7-21)29-17-15-24(19-29)31-25-10-4-8-23-9-5-16-28-27(23)25/h1-14,16,24H,15,17-19H2
InChIKeyXRXYYGDCQRUOGR-UHFFFAOYSA-N
XLogP5.12
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.50
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromophenyl)-1-[(3S)-3-quinolin-8-yloxypyrrolidin-1-yl]ethanone
CID 124760007
2-pyridin-3-yl-1-[(3S)-3-quinolin-8-yloxypyrrolidin-1-yl]ethanone
CID 124760974
2-(4-propan-2-ylsulfanylphenyl)-1-(3-quinolin-8-yloxypyrrolidin-1-yl)ethanone
CID 91815083
3-(4-phenylmethoxyphenyl)-1-(3-quinolin-8-yloxypyrrolidin-1-yl)propan-1-one
CID 121157251
2,2-dimethyl-1-[(3R)-3-quinolin-8-yloxypyrrolidin-1-yl]propan-1-one
CID 124846967
[4-(4-fluorophenyl)phenyl]-(3-quinolin-8-yloxypyrrolidin-1-yl)methanone
CID 121157245
[4-(4-methylphenyl)phenyl]-(3-quinolin-8-yloxypyrrolidin-1-yl)methanone
CID 121157244
2-(4-phenylphenyl)-1-(3-pyridazin-3-yloxypyrrolidin-1-yl)ethanone
CID 90638326
(3R)-N-ethyl-3-quinolin-8-yloxypyrrolidine-1-carboxamide
CID 124863649
(3-phenylmethoxyphenyl)-(3-quinolin-8-yloxypyrrolidin-1-yl)methanone
CID 121157254
[(3R)-3-quinolin-8-yloxypyrrolidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 124728047
(2-chlorophenyl)-(4-quinolin-8-yloxypiperidin-1-yl)methanone
CID 91625334

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylphenyl)-1-(3-quinolin-8-yloxypyrrolidin-1-yl)ethanone?
The IUPAC name of 2-(4-phenylphenyl)-1-(3-quinolin-8-yloxypyrrolidin-1-yl)ethanone (CID 121157257) is 2-(4-phenylphenyl)-1-(3-quinolin-8-yloxypyrrolidin-1-yl)ethanone.
What is the SMILES notation for 2-(4-phenylphenyl)-1-(3-quinolin-8-yloxypyrrolidin-1-yl)ethanone?
The canonical SMILES for 2-(4-phenylphenyl)-1-(3-quinolin-8-yloxypyrrolidin-1-yl)ethanone is O=C(Cc1ccc(-c2ccccc2)cc1)N1CCC(Oc2cccc3cccnc23)C1.
What is the InChIKey of 2-(4-phenylphenyl)-1-(3-quinolin-8-yloxypyrrolidin-1-yl)ethanone?
The InChIKey is XRXYYGDCQRUOGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2O2/c30-26(18-20-11-13-22(14-12-20)21-6-2-1-3-7-21)29-17-15-24(19-29)31-25-10-4-8-23-9-5-16-28-27(23)25/h1-14,16,24H,15,17-19H2.
What are the key properties of 2-(4-phenylphenyl)-1-(3-quinolin-8-yloxypyrrolidin-1-yl)ethanone?
2-(4-phenylphenyl)-1-(3-quinolin-8-yloxypyrrolidin-1-yl)ethanone has a molecular weight of 408.50 g/mol, XLogP of 5.12, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylphenyl)-1-(3-quinolin-8-yloxypyrrolidin-1-yl)ethanone is sourced from PubChem (CID 121157257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).