(3R)-1-(3-methoxyquinoxalin-2-yl)pyrrolidin-3-amine;hydrochloride

C13H17ClN4O — CID 71643054

IUPAC(3R)-1-(3-methoxyquinoxalin-2-yl)pyrrolidin-3-amine;hydrochloride
SMILESCOc1nc2ccccc2nc1N1CC[C@@H](N)C1.Cl
InChIInChI=1S/C13H16N4O.ClH/c1-18-13-12(17-7-6-9(14)8-17)15-10-4-2-3-5-11(10)16-13;/h2-5,9H,6-8,14H2,1H3;1H/t9-;/m1./s1
InChIKeyACKWDOIDJJYIDQ-SBSPUUFOSA-N
MW280.76 g/mol
LogP1.60
Rot. Bonds2

About (3R)-1-(3-methoxyquinoxalin-2-yl)pyrrolidin-3-amine;hydrochloride

(3R)-1-(3-methoxyquinoxalin-2-yl)pyrrolidin-3-amine;hydrochloride (PubChem CID 71643054) has the molecular formula C13H17ClN4O and a molecular weight of 280.76 g/mol. Its IUPAC name is (3R)-1-(3-methoxyquinoxalin-2-yl)pyrrolidin-3-amine;hydrochloride.

Molecular Properties

Compound Name(3R)-1-(3-methoxyquinoxalin-2-yl)pyrrolidin-3-amine;hydrochloride
PubChem CID71643054
Molecular FormulaC13H17ClN4O
Molecular Weight280.76 g/mol
Exact Mass280.11
IUPAC Name(3R)-1-(3-methoxyquinoxalin-2-yl)pyrrolidin-3-amine;hydrochloride
SMILESCOc1nc2ccccc2nc1N1CC[C@@H](N)C1.Cl
InChIInChI=1S/C13H16N4O.ClH/c1-18-13-12(17-7-6-9(14)8-17)15-10-4-2-3-5-11(10)16-13;/h2-5,9H,6-8,14H2,1H3;1H/t9-;/m1./s1
InChIKeyACKWDOIDJJYIDQ-SBSPUUFOSA-N
XLogP1.60
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.76
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-(3-methoxyquinoxalin-2-yl)pyrrolidin-3-amine;hydrochloride?
The IUPAC name of (3R)-1-(3-methoxyquinoxalin-2-yl)pyrrolidin-3-amine;hydrochloride (CID 71643054) is (3R)-1-(3-methoxyquinoxalin-2-yl)pyrrolidin-3-amine;hydrochloride.
What is the SMILES notation for (3R)-1-(3-methoxyquinoxalin-2-yl)pyrrolidin-3-amine;hydrochloride?
The canonical SMILES for (3R)-1-(3-methoxyquinoxalin-2-yl)pyrrolidin-3-amine;hydrochloride is COc1nc2ccccc2nc1N1CC[C@@H](N)C1.Cl.
What is the InChIKey of (3R)-1-(3-methoxyquinoxalin-2-yl)pyrrolidin-3-amine;hydrochloride?
The InChIKey is ACKWDOIDJJYIDQ-SBSPUUFOSA-N. The full InChI is InChI=1S/C13H16N4O.ClH/c1-18-13-12(17-7-6-9(14)8-17)15-10-4-2-3-5-11(10)16-13;/h2-5,9H,6-8,14H2,1H3;1H/t9-;/m1./s1.
What are the key properties of (3R)-1-(3-methoxyquinoxalin-2-yl)pyrrolidin-3-amine;hydrochloride?
(3R)-1-(3-methoxyquinoxalin-2-yl)pyrrolidin-3-amine;hydrochloride has a molecular weight of 280.76 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(3-methoxyquinoxalin-2-yl)pyrrolidin-3-amine;hydrochloride is sourced from PubChem (CID 71643054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).