(2-bromophenyl)-(3-quinoxalin-2-yloxypyrrolidin-1-yl)methanone

C19H16BrN3O2 — CID 126852268

IUPAC(2-bromophenyl)-(3-quinoxalin-2-yloxypyrrolidin-1-yl)methanone
SMILESO=C(c1ccccc1Br)N1CCC(Oc2cnc3ccccc3n2)C1
InChIInChI=1S/C19H16BrN3O2/c20-15-6-2-1-5-14(15)19(24)23-10-9-13(12-23)25-18-11-21-16-7-3-4-8-17(16)22-18/h1-8,11,13H,9-10,12H2
InChIKeySKMOVBAHRAGETA-UHFFFAOYSA-N
MW398.26 g/mol
LogP3.69
Rot. Bonds3

About (2-bromophenyl)-(3-quinoxalin-2-yloxypyrrolidin-1-yl)methanone

(2-bromophenyl)-(3-quinoxalin-2-yloxypyrrolidin-1-yl)methanone (PubChem CID 126852268) has the molecular formula C19H16BrN3O2 and a molecular weight of 398.26 g/mol. Its IUPAC name is (2-bromophenyl)-(3-quinoxalin-2-yloxypyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(2-bromophenyl)-(3-quinoxalin-2-yloxypyrrolidin-1-yl)methanone
PubChem CID126852268
Molecular FormulaC19H16BrN3O2
Molecular Weight398.26 g/mol
Exact Mass397.04
IUPAC Name(2-bromophenyl)-(3-quinoxalin-2-yloxypyrrolidin-1-yl)methanone
SMILESO=C(c1ccccc1Br)N1CCC(Oc2cnc3ccccc3n2)C1
InChIInChI=1S/C19H16BrN3O2/c20-15-6-2-1-5-14(15)19(24)23-10-9-13(12-23)25-18-11-21-16-7-3-4-8-17(16)22-18/h1-8,11,13H,9-10,12H2
InChIKeySKMOVBAHRAGETA-UHFFFAOYSA-N
XLogP3.69
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.26
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

pyridin-4-yl-(3-quinoxalin-2-yloxypyrrolidin-1-yl)methanone
CID 126850635
(3-quinoxalin-2-yloxypyrrolidin-1-yl)-(2,3,4-trifluorophenyl)methanone
CID 126852274
furan-3-yl-(3-quinoxalin-2-yloxypyrrolidin-1-yl)methanone
CID 126854597
1-benzothiophen-2-yl-(3-quinoxalin-2-yloxypyrrolidin-1-yl)methanone
CID 126850645
N-tert-butyl-3-quinoxalin-2-yloxypyrrolidine-1-carboxamide
CID 126850655
(2,6-difluorophenyl)-(4-quinoxalin-2-yloxypiperidin-1-yl)methanone
CID 90559886
(2-bromophenyl)-[3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]methanone
CID 90639547
(2,4-difluorophenyl)-(4-quinoxalin-2-yloxypiperidin-1-yl)methanone
CID 90559977
(3S)-N-(2-phenylethyl)-3-quinoxalin-2-yloxypyrrolidine-1-carboxamide
CID 164630557
(2-chlorophenyl)-(3-quinolin-2-yloxypyrrolidin-1-yl)methanone
CID 91815832
quinolin-2-yl-(4-quinoxalin-2-yloxypiperidin-1-yl)methanone
CID 90559814
(2-bromophenyl)-[3-[3-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]methanone
CID 91914160

Frequently Asked Questions

What is the IUPAC name of (2-bromophenyl)-(3-quinoxalin-2-yloxypyrrolidin-1-yl)methanone?
The IUPAC name of (2-bromophenyl)-(3-quinoxalin-2-yloxypyrrolidin-1-yl)methanone (CID 126852268) is (2-bromophenyl)-(3-quinoxalin-2-yloxypyrrolidin-1-yl)methanone.
What is the SMILES notation for (2-bromophenyl)-(3-quinoxalin-2-yloxypyrrolidin-1-yl)methanone?
The canonical SMILES for (2-bromophenyl)-(3-quinoxalin-2-yloxypyrrolidin-1-yl)methanone is O=C(c1ccccc1Br)N1CCC(Oc2cnc3ccccc3n2)C1.
What is the InChIKey of (2-bromophenyl)-(3-quinoxalin-2-yloxypyrrolidin-1-yl)methanone?
The InChIKey is SKMOVBAHRAGETA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrN3O2/c20-15-6-2-1-5-14(15)19(24)23-10-9-13(12-23)25-18-11-21-16-7-3-4-8-17(16)22-18/h1-8,11,13H,9-10,12H2.
What are the key properties of (2-bromophenyl)-(3-quinoxalin-2-yloxypyrrolidin-1-yl)methanone?
(2-bromophenyl)-(3-quinoxalin-2-yloxypyrrolidin-1-yl)methanone has a molecular weight of 398.26 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromophenyl)-(3-quinoxalin-2-yloxypyrrolidin-1-yl)methanone is sourced from PubChem (CID 126852268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).