3-pyrrolidin-1-ylquinoxalin-2-amine

C12H14N4 — CID 2041326

IUPAC3-pyrrolidin-1-ylquinoxalin-2-amine
SMILESNc1nc2ccccc2nc1N1CCCC1
InChIInChI=1S/C12H14N4/c13-11-12(16-7-3-4-8-16)15-10-6-2-1-5-9(10)14-11/h1-2,5-6H,3-4,7-8H2,(H2,13,14)
InChIKeyLWWDIFFPFOZSSB-UHFFFAOYSA-N
MW214.27 g/mol
LogP1.81
Rot. Bonds1

About 3-pyrrolidin-1-ylquinoxalin-2-amine

3-pyrrolidin-1-ylquinoxalin-2-amine (PubChem CID 2041326) has the molecular formula C12H14N4 and a molecular weight of 214.27 g/mol. Its IUPAC name is 3-pyrrolidin-1-ylquinoxalin-2-amine.

Molecular Properties

Compound Name3-pyrrolidin-1-ylquinoxalin-2-amine
PubChem CID2041326
Molecular FormulaC12H14N4
Molecular Weight214.27 g/mol
Exact Mass214.12
IUPAC Name3-pyrrolidin-1-ylquinoxalin-2-amine
SMILESNc1nc2ccccc2nc1N1CCCC1
InChIInChI=1S/C12H14N4/c13-11-12(16-7-3-4-8-16)15-10-6-2-1-5-9(10)14-11/h1-2,5-6H,3-4,7-8H2,(H2,13,14)
InChIKeyLWWDIFFPFOZSSB-UHFFFAOYSA-N
XLogP1.81
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-pyrrolidin-1-ylquinoxalin-2-amine?
The IUPAC name of 3-pyrrolidin-1-ylquinoxalin-2-amine (CID 2041326) is 3-pyrrolidin-1-ylquinoxalin-2-amine.
What is the SMILES notation for 3-pyrrolidin-1-ylquinoxalin-2-amine?
The canonical SMILES for 3-pyrrolidin-1-ylquinoxalin-2-amine is Nc1nc2ccccc2nc1N1CCCC1.
What is the InChIKey of 3-pyrrolidin-1-ylquinoxalin-2-amine?
The InChIKey is LWWDIFFPFOZSSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4/c13-11-12(16-7-3-4-8-16)15-10-6-2-1-5-9(10)14-11/h1-2,5-6H,3-4,7-8H2,(H2,13,14).
What are the key properties of 3-pyrrolidin-1-ylquinoxalin-2-amine?
3-pyrrolidin-1-ylquinoxalin-2-amine has a molecular weight of 214.27 g/mol, XLogP of 1.81, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrrolidin-1-ylquinoxalin-2-amine is sourced from PubChem (CID 2041326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).