2-(4-bromophenyl)-1-[(3S)-3-quinolin-8-yloxypyrrolidin-1-yl]ethanone

C21H19BrN2O2 — CID 124760007

IUPAC2-(4-bromophenyl)-1-[(3S)-3-quinolin-8-yloxypyrrolidin-1-yl]ethanone
SMILESO=C(Cc1ccc(Br)cc1)N1CC[C@H](Oc2cccc3cccnc23)C1
InChIInChI=1S/C21H19BrN2O2/c22-17-8-6-15(7-9-17)13-20(25)24-12-10-18(14-24)26-19-5-1-3-16-4-2-11-23-21(16)19/h1-9,11,18H,10,12-14H2/t18-/m0/s1
InChIKeyIUVOYPJGCVZQHN-SFHVURJKSA-N
MW411.30 g/mol
LogP4.22
Rot. Bonds4

About 2-(4-bromophenyl)-1-[(3S)-3-quinolin-8-yloxypyrrolidin-1-yl]ethanone

2-(4-bromophenyl)-1-[(3S)-3-quinolin-8-yloxypyrrolidin-1-yl]ethanone (PubChem CID 124760007) has the molecular formula C21H19BrN2O2 and a molecular weight of 411.30 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1-[(3S)-3-quinolin-8-yloxypyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-bromophenyl)-1-[(3S)-3-quinolin-8-yloxypyrrolidin-1-yl]ethanone
PubChem CID124760007
Molecular FormulaC21H19BrN2O2
Molecular Weight411.30 g/mol
Exact Mass410.06
IUPAC Name2-(4-bromophenyl)-1-[(3S)-3-quinolin-8-yloxypyrrolidin-1-yl]ethanone
SMILESO=C(Cc1ccc(Br)cc1)N1CC[C@H](Oc2cccc3cccnc23)C1
InChIInChI=1S/C21H19BrN2O2/c22-17-8-6-15(7-9-17)13-20(25)24-12-10-18(14-24)26-19-5-1-3-16-4-2-11-23-21(16)19/h1-9,11,18H,10,12-14H2/t18-/m0/s1
InChIKeyIUVOYPJGCVZQHN-SFHVURJKSA-N
XLogP4.22
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.30
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(4-bromophenyl)-1-[(3S)-3-quinolin-8-yloxypyrrolidin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-phenylphenyl)-1-(3-quinolin-8-yloxypyrrolidin-1-yl)ethanone
CID 121157257
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
2,2-dimethyl-1-[(3R)-3-quinolin-8-yloxypyrrolidin-1-yl]propan-1-one
CID 124846967
(3R)-N-ethyl-3-quinolin-8-yloxypyrrolidine-1-carboxamide
CID 124863649
3-(4-phenylmethoxyphenyl)-1-(3-quinolin-8-yloxypyrrolidin-1-yl)propan-1-one
CID 121157251
8-[(3S)-1-(4-bromophenyl)sulfonylpyrrolidin-3-yl]oxyquinoline
CID 124759299
3-[5-bromo-2-(difluoromethoxy)phenyl]-1-(4-quinolin-8-yloxypiperidin-1-yl)propan-1-one
CID 121157282
[4-(4-methylphenyl)phenyl]-(3-quinolin-8-yloxypyrrolidin-1-yl)methanone
CID 121157244
[4-(4-fluorophenyl)phenyl]-(3-quinolin-8-yloxypyrrolidin-1-yl)methanone
CID 121157245
[(3R)-3-quinolin-8-yloxypyrrolidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 124728047
(3-phenylmethoxyphenyl)-(3-quinolin-8-yloxypyrrolidin-1-yl)methanone
CID 121157254

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1-[(3S)-3-quinolin-8-yloxypyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(4-bromophenyl)-1-[(3S)-3-quinolin-8-yloxypyrrolidin-1-yl]ethanone (CID 124760007) is 2-(4-bromophenyl)-1-[(3S)-3-quinolin-8-yloxypyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-bromophenyl)-1-[(3S)-3-quinolin-8-yloxypyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(4-bromophenyl)-1-[(3S)-3-quinolin-8-yloxypyrrolidin-1-yl]ethanone is O=C(Cc1ccc(Br)cc1)N1CC[C@H](Oc2cccc3cccnc23)C1.
What is the InChIKey of 2-(4-bromophenyl)-1-[(3S)-3-quinolin-8-yloxypyrrolidin-1-yl]ethanone?
The InChIKey is IUVOYPJGCVZQHN-SFHVURJKSA-N. The full InChI is InChI=1S/C21H19BrN2O2/c22-17-8-6-15(7-9-17)13-20(25)24-12-10-18(14-24)26-19-5-1-3-16-4-2-11-23-21(16)19/h1-9,11,18H,10,12-14H2/t18-/m0/s1.
What are the key properties of 2-(4-bromophenyl)-1-[(3S)-3-quinolin-8-yloxypyrrolidin-1-yl]ethanone?
2-(4-bromophenyl)-1-[(3S)-3-quinolin-8-yloxypyrrolidin-1-yl]ethanone has a molecular weight of 411.30 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-1-[(3S)-3-quinolin-8-yloxypyrrolidin-1-yl]ethanone is sourced from PubChem (CID 124760007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).