3-[(3R)-3-aminopyrrolidin-1-yl]-N-methylquinoxalin-2-amine;hydrochloride

C13H18ClN5 — CID 71642532

IUPAC3-[(3R)-3-aminopyrrolidin-1-yl]-N-methylquinoxalin-2-amine;hydrochloride
SMILESCNc1nc2ccccc2nc1N1CC[C@@H](N)C1.Cl
InChIInChI=1S/C13H17N5.ClH/c1-15-12-13(18-7-6-9(14)8-18)17-11-5-3-2-4-10(11)16-12;/h2-5,9H,6-8,14H2,1H3,(H,15,16);1H/t9-;/m1./s1
InChIKeyQLBGDGBXUKFGFL-SBSPUUFOSA-N
MW279.77 g/mol
LogP1.63
Rot. Bonds2

About 3-[(3R)-3-aminopyrrolidin-1-yl]-N-methylquinoxalin-2-amine;hydrochloride

3-[(3R)-3-aminopyrrolidin-1-yl]-N-methylquinoxalin-2-amine;hydrochloride (PubChem CID 71642532) has the molecular formula C13H18ClN5 and a molecular weight of 279.77 g/mol. Its IUPAC name is 3-[(3R)-3-aminopyrrolidin-1-yl]-N-methylquinoxalin-2-amine;hydrochloride.

Molecular Properties

Compound Name3-[(3R)-3-aminopyrrolidin-1-yl]-N-methylquinoxalin-2-amine;hydrochloride
PubChem CID71642532
Molecular FormulaC13H18ClN5
Molecular Weight279.77 g/mol
Exact Mass279.13
IUPAC Name3-[(3R)-3-aminopyrrolidin-1-yl]-N-methylquinoxalin-2-amine;hydrochloride
SMILESCNc1nc2ccccc2nc1N1CC[C@@H](N)C1.Cl
InChIInChI=1S/C13H17N5.ClH/c1-15-12-13(18-7-6-9(14)8-18)17-11-5-3-2-4-10(11)16-12;/h2-5,9H,6-8,14H2,1H3,(H,15,16);1H/t9-;/m1./s1
InChIKeyQLBGDGBXUKFGFL-SBSPUUFOSA-N
XLogP1.63
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-3-aminopyrrolidin-1-yl]-N-methylquinoxalin-2-amine;hydrochloride?
The IUPAC name of 3-[(3R)-3-aminopyrrolidin-1-yl]-N-methylquinoxalin-2-amine;hydrochloride (CID 71642532) is 3-[(3R)-3-aminopyrrolidin-1-yl]-N-methylquinoxalin-2-amine;hydrochloride.
What is the SMILES notation for 3-[(3R)-3-aminopyrrolidin-1-yl]-N-methylquinoxalin-2-amine;hydrochloride?
The canonical SMILES for 3-[(3R)-3-aminopyrrolidin-1-yl]-N-methylquinoxalin-2-amine;hydrochloride is CNc1nc2ccccc2nc1N1CC[C@@H](N)C1.Cl.
What is the InChIKey of 3-[(3R)-3-aminopyrrolidin-1-yl]-N-methylquinoxalin-2-amine;hydrochloride?
The InChIKey is QLBGDGBXUKFGFL-SBSPUUFOSA-N. The full InChI is InChI=1S/C13H17N5.ClH/c1-15-12-13(18-7-6-9(14)8-18)17-11-5-3-2-4-10(11)16-12;/h2-5,9H,6-8,14H2,1H3,(H,15,16);1H/t9-;/m1./s1.
What are the key properties of 3-[(3R)-3-aminopyrrolidin-1-yl]-N-methylquinoxalin-2-amine;hydrochloride?
3-[(3R)-3-aminopyrrolidin-1-yl]-N-methylquinoxalin-2-amine;hydrochloride has a molecular weight of 279.77 g/mol, XLogP of 1.63, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-3-aminopyrrolidin-1-yl]-N-methylquinoxalin-2-amine;hydrochloride is sourced from PubChem (CID 71642532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).