3-(3,4-dimethoxypyrrolidin-1-yl)quinoxalin-2-amine

C14H18N4O2 — CID 103541708

IUPAC3-(3,4-dimethoxypyrrolidin-1-yl)quinoxalin-2-amine
SMILESCOC1CN(c2nc3ccccc3nc2N)CC1OC
InChIInChI=1S/C14H18N4O2/c1-19-11-7-18(8-12(11)20-2)14-13(15)16-9-5-3-4-6-10(9)17-14/h3-6,11-12H,7-8H2,1-2H3,(H2,15,16)
InChIKeyRFVIJHXDXCEQMR-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.06
Rot. Bonds3

About 3-(3,4-dimethoxypyrrolidin-1-yl)quinoxalin-2-amine

3-(3,4-dimethoxypyrrolidin-1-yl)quinoxalin-2-amine (PubChem CID 103541708) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 3-(3,4-dimethoxypyrrolidin-1-yl)quinoxalin-2-amine.

Molecular Properties

Compound Name3-(3,4-dimethoxypyrrolidin-1-yl)quinoxalin-2-amine
PubChem CID103541708
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name3-(3,4-dimethoxypyrrolidin-1-yl)quinoxalin-2-amine
SMILESCOC1CN(c2nc3ccccc3nc2N)CC1OC
InChIInChI=1S/C14H18N4O2/c1-19-11-7-18(8-12(11)20-2)14-13(15)16-9-5-3-4-6-10(9)17-14/h3-6,11-12H,7-8H2,1-2H3,(H2,15,16)
InChIKeyRFVIJHXDXCEQMR-UHFFFAOYSA-N
XLogP1.06
TPSA73.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]quinoxalin-2-amine
CID 102987519
3-[(3S)-3-aminopyrrolidin-1-yl]quinoxalin-2-amine;hydrochloride
CID 71643981
[4-(3,4-dimethoxypyrrolidin-1-yl)quinazolin-2-yl]hydrazine
CID 103542119
3-[(3S)-3-aminopiperidin-1-yl]quinoxalin-2-amine
CID 97165327
2-chloro-4-(3,4-dimethoxypyrrolidin-1-yl)quinazoline
CID 103536646
3-(4-cyclopropylpiperazin-1-yl)quinoxalin-2-amine
CID 102986229
3-(3-methoxy-3-methylpiperidin-1-yl)quinoxalin-2-amine
CID 107396287
2-(3,4-dimethoxypyrrolidin-1-yl)pyridin-3-amine
CID 103530537
3-(4-propylpiperidin-1-yl)quinoxalin-2-amine
CID 102986310
3-[(3S)-3-(aminomethyl)piperidin-1-yl]quinoxalin-2-amine
CID 97165472
4-[(3R,4R)-3,4-dimethoxypyrrolidin-1-yl]aniline
CID 129414434
5-amino-6-(3,4-dimethoxypyrrolidin-1-yl)pyridine-2-carboxylic acid
CID 103537198

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxypyrrolidin-1-yl)quinoxalin-2-amine?
The IUPAC name of 3-(3,4-dimethoxypyrrolidin-1-yl)quinoxalin-2-amine (CID 103541708) is 3-(3,4-dimethoxypyrrolidin-1-yl)quinoxalin-2-amine.
What is the SMILES notation for 3-(3,4-dimethoxypyrrolidin-1-yl)quinoxalin-2-amine?
The canonical SMILES for 3-(3,4-dimethoxypyrrolidin-1-yl)quinoxalin-2-amine is COC1CN(c2nc3ccccc3nc2N)CC1OC.
What is the InChIKey of 3-(3,4-dimethoxypyrrolidin-1-yl)quinoxalin-2-amine?
The InChIKey is RFVIJHXDXCEQMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-19-11-7-18(8-12(11)20-2)14-13(15)16-9-5-3-4-6-10(9)17-14/h3-6,11-12H,7-8H2,1-2H3,(H2,15,16).
What are the key properties of 3-(3,4-dimethoxypyrrolidin-1-yl)quinoxalin-2-amine?
3-(3,4-dimethoxypyrrolidin-1-yl)quinoxalin-2-amine has a molecular weight of 274.32 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxypyrrolidin-1-yl)quinoxalin-2-amine is sourced from PubChem (CID 103541708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).