5-pyrrolidin-2-ylquinoxaline

C12H13N3 — CID 104614202

IUPAC5-pyrrolidin-2-ylquinoxaline
SMILESc1cc(C2CCCN2)c2nccnc2c1
InChIInChI=1S/C12H13N3/c1-3-9(10-5-2-6-13-10)12-11(4-1)14-7-8-15-12/h1,3-4,7-8,10,13H,2,5-6H2
InChIKeyDJPWUVRIVXARGK-UHFFFAOYSA-N
MW199.26 g/mol
LogP2.05
Rot. Bonds1

About 5-pyrrolidin-2-ylquinoxaline

5-pyrrolidin-2-ylquinoxaline (PubChem CID 104614202) has the molecular formula C12H13N3 and a molecular weight of 199.26 g/mol. Its IUPAC name is 5-pyrrolidin-2-ylquinoxaline.

Molecular Properties

Compound Name5-pyrrolidin-2-ylquinoxaline
PubChem CID104614202
Molecular FormulaC12H13N3
Molecular Weight199.26 g/mol
Exact Mass199.11
IUPAC Name5-pyrrolidin-2-ylquinoxaline
SMILESc1cc(C2CCCN2)c2nccnc2c1
InChIInChI=1S/C12H13N3/c1-3-9(10-5-2-6-13-10)12-11(4-1)14-7-8-15-12/h1,3-4,7-8,10,13H,2,5-6H2
InChIKeyDJPWUVRIVXARGK-UHFFFAOYSA-N
XLogP2.05
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.26
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2R)-pyrrolidin-2-yl]quinoline
CID 66518640
8-[(2S)-pyrrolidin-2-yl]quinoline;dihydrochloride
CID 154574794
2-chloro-3-[(2S)-pyrrolidin-2-yl]pyridine
CID 55278492
3-piperidin-2-yl-5-quinoxalin-5-yl-1,2,4-oxadiazole
CID 104615591
2-fluoro-3-[(2S)-pyrrolidin-2-yl]pyridine;hydrochloride
CID 171196297
4-(azepan-2-yl)quinoline
CID 81147055
(2S)-2-(2,3-dibromophenyl)pyrrolidine
CID 131217135
2-[2-[(2S)-pyrrolidin-2-yl]phenyl]pyridine;hydrochloride
CID 164551354
8-pyrrolidin-2-yl-[1,2,4]triazolo[1,5-a]pyridine
CID 83829122
5-[(2S)-pyrrolidin-2-yl]isoquinoline
CID 66518641
(2S)-2-(1-benzothiophen-7-yl)pyrrolidine
CID 97053087
2-[(2R)-pyrrolidin-2-yl]pyridine
CID 7141590

Frequently Asked Questions

What is the IUPAC name of 5-pyrrolidin-2-ylquinoxaline?
The IUPAC name of 5-pyrrolidin-2-ylquinoxaline (CID 104614202) is 5-pyrrolidin-2-ylquinoxaline.
What is the SMILES notation for 5-pyrrolidin-2-ylquinoxaline?
The canonical SMILES for 5-pyrrolidin-2-ylquinoxaline is c1cc(C2CCCN2)c2nccnc2c1.
What is the InChIKey of 5-pyrrolidin-2-ylquinoxaline?
The InChIKey is DJPWUVRIVXARGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3/c1-3-9(10-5-2-6-13-10)12-11(4-1)14-7-8-15-12/h1,3-4,7-8,10,13H,2,5-6H2.
What are the key properties of 5-pyrrolidin-2-ylquinoxaline?
5-pyrrolidin-2-ylquinoxaline has a molecular weight of 199.26 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyrrolidin-2-ylquinoxaline is sourced from PubChem (CID 104614202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).