(3S)-1-quinoxalin-2-ylpyrrolidin-3-amine;hydrochloride

C12H15ClN4 — CID 71643977

IUPAC(3S)-1-quinoxalin-2-ylpyrrolidin-3-amine;hydrochloride
SMILESCl.N[C@H]1CCN(c2cnc3ccccc3n2)C1
InChIInChI=1S/C12H14N4.ClH/c13-9-5-6-16(8-9)12-7-14-10-3-1-2-4-11(10)15-12;/h1-4,7,9H,5-6,8,13H2;1H/t9-;/m0./s1
InChIKeyMDWRLEXYTMCRAJ-FVGYRXGTSA-N
MW250.73 g/mol
LogP1.59
Rot. Bonds1

About (3S)-1-quinoxalin-2-ylpyrrolidin-3-amine;hydrochloride

(3S)-1-quinoxalin-2-ylpyrrolidin-3-amine;hydrochloride (PubChem CID 71643977) has the molecular formula C12H15ClN4 and a molecular weight of 250.73 g/mol. Its IUPAC name is (3S)-1-quinoxalin-2-ylpyrrolidin-3-amine;hydrochloride.

Molecular Properties

Compound Name(3S)-1-quinoxalin-2-ylpyrrolidin-3-amine;hydrochloride
PubChem CID71643977
Molecular FormulaC12H15ClN4
Molecular Weight250.73 g/mol
Exact Mass250.10
IUPAC Name(3S)-1-quinoxalin-2-ylpyrrolidin-3-amine;hydrochloride
SMILESCl.N[C@H]1CCN(c2cnc3ccccc3n2)C1
InChIInChI=1S/C12H14N4.ClH/c13-9-5-6-16(8-9)12-7-14-10-3-1-2-4-11(10)15-12;/h1-4,7,9H,5-6,8,13H2;1H/t9-;/m0./s1
InChIKeyMDWRLEXYTMCRAJ-FVGYRXGTSA-N
XLogP1.59
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-quinoxalin-2-ylpyrrolidin-3-amine;hydrochloride?
The IUPAC name of (3S)-1-quinoxalin-2-ylpyrrolidin-3-amine;hydrochloride (CID 71643977) is (3S)-1-quinoxalin-2-ylpyrrolidin-3-amine;hydrochloride.
What is the SMILES notation for (3S)-1-quinoxalin-2-ylpyrrolidin-3-amine;hydrochloride?
The canonical SMILES for (3S)-1-quinoxalin-2-ylpyrrolidin-3-amine;hydrochloride is Cl.N[C@H]1CCN(c2cnc3ccccc3n2)C1.
What is the InChIKey of (3S)-1-quinoxalin-2-ylpyrrolidin-3-amine;hydrochloride?
The InChIKey is MDWRLEXYTMCRAJ-FVGYRXGTSA-N. The full InChI is InChI=1S/C12H14N4.ClH/c13-9-5-6-16(8-9)12-7-14-10-3-1-2-4-11(10)15-12;/h1-4,7,9H,5-6,8,13H2;1H/t9-;/m0./s1.
What are the key properties of (3S)-1-quinoxalin-2-ylpyrrolidin-3-amine;hydrochloride?
(3S)-1-quinoxalin-2-ylpyrrolidin-3-amine;hydrochloride has a molecular weight of 250.73 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-quinoxalin-2-ylpyrrolidin-3-amine;hydrochloride is sourced from PubChem (CID 71643977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).