N-methyl-N-[(3R)-pyrrolidin-3-yl]quinoxalin-2-amine;hydrochloride

C13H17ClN4 — CID 71641013

IUPACN-methyl-N-[(3R)-pyrrolidin-3-yl]quinoxalin-2-amine;hydrochloride
SMILESCN(c1cnc2ccccc2n1)[C@@H]1CCNC1.Cl
InChIInChI=1S/C13H16N4.ClH/c1-17(10-6-7-14-8-10)13-9-15-11-4-2-3-5-12(11)16-13;/h2-5,9-10,14H,6-8H2,1H3;1H/t10-;/m1./s1
InChIKeyYXSTTYWOSZNEND-HNCPQSOCSA-N
MW264.76 g/mol
LogP1.85
Rot. Bonds2

About N-methyl-N-[(3R)-pyrrolidin-3-yl]quinoxalin-2-amine;hydrochloride

N-methyl-N-[(3R)-pyrrolidin-3-yl]quinoxalin-2-amine;hydrochloride (PubChem CID 71641013) has the molecular formula C13H17ClN4 and a molecular weight of 264.76 g/mol. Its IUPAC name is N-methyl-N-[(3R)-pyrrolidin-3-yl]quinoxalin-2-amine;hydrochloride.

Molecular Properties

Compound NameN-methyl-N-[(3R)-pyrrolidin-3-yl]quinoxalin-2-amine;hydrochloride
PubChem CID71641013
Molecular FormulaC13H17ClN4
Molecular Weight264.76 g/mol
Exact Mass264.11
IUPAC NameN-methyl-N-[(3R)-pyrrolidin-3-yl]quinoxalin-2-amine;hydrochloride
SMILESCN(c1cnc2ccccc2n1)[C@@H]1CCNC1.Cl
InChIInChI=1S/C13H16N4.ClH/c1-17(10-6-7-14-8-10)13-9-15-11-4-2-3-5-12(11)16-13;/h2-5,9-10,14H,6-8H2,1H3;1H/t10-;/m1./s1
InChIKeyYXSTTYWOSZNEND-HNCPQSOCSA-N
XLogP1.85
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-N-pyrrolidin-3-ylquinoxalin-2-amine
CID 63300015
N-methyl-6-nitro-N-[(3S)-pyrrolidin-3-yl]quinoxalin-2-amine;hydrochloride
CID 71641222
2-[methyl(pyrrolidin-3-yl)amino]quinoline-4-carbonitrile
CID 63883694
N,3-dimethyl-N-pyrrolidin-3-ylquinoxalin-2-amine
CID 55205906
N-methyl-N-(piperidin-4-ylmethyl)quinoxalin-2-amine;hydrochloride
CID 71642440
2-N,3-N-dimethyl-3-N-[(3R)-pyrrolidin-3-yl]quinoxaline-2,3-diamine;hydrochloride
CID 71642500
N-methyl-N-piperidin-3-ylquinolin-2-amine
CID 63642355
N-methyl-N-(piperidin-4-ylmethyl)quinoxalin-2-amine
CID 71642441
3-ethoxy-N-methyl-N-[(3R)-pyrrolidin-3-yl]quinoxalin-2-amine
CID 71639631
3-ethoxy-N-methyl-N-[(3S)-pyrrolidin-3-yl]quinoxalin-2-amine
CID 71639635
2-N,3-N-dimethyl-3-N-[(3S)-pyrrolidin-3-yl]quinoxaline-2,3-diamine
CID 71642505
5-fluoro-N-methyl-N-pyrrolidin-3-ylpyridin-2-amine
CID 63301481

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3R)-pyrrolidin-3-yl]quinoxalin-2-amine;hydrochloride?
The IUPAC name of N-methyl-N-[(3R)-pyrrolidin-3-yl]quinoxalin-2-amine;hydrochloride (CID 71641013) is N-methyl-N-[(3R)-pyrrolidin-3-yl]quinoxalin-2-amine;hydrochloride.
What is the SMILES notation for N-methyl-N-[(3R)-pyrrolidin-3-yl]quinoxalin-2-amine;hydrochloride?
The canonical SMILES for N-methyl-N-[(3R)-pyrrolidin-3-yl]quinoxalin-2-amine;hydrochloride is CN(c1cnc2ccccc2n1)[C@@H]1CCNC1.Cl.
What is the InChIKey of N-methyl-N-[(3R)-pyrrolidin-3-yl]quinoxalin-2-amine;hydrochloride?
The InChIKey is YXSTTYWOSZNEND-HNCPQSOCSA-N. The full InChI is InChI=1S/C13H16N4.ClH/c1-17(10-6-7-14-8-10)13-9-15-11-4-2-3-5-12(11)16-13;/h2-5,9-10,14H,6-8H2,1H3;1H/t10-;/m1./s1.
What are the key properties of N-methyl-N-[(3R)-pyrrolidin-3-yl]quinoxalin-2-amine;hydrochloride?
N-methyl-N-[(3R)-pyrrolidin-3-yl]quinoxalin-2-amine;hydrochloride has a molecular weight of 264.76 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3R)-pyrrolidin-3-yl]quinoxalin-2-amine;hydrochloride is sourced from PubChem (CID 71641013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).