2-methoxy-3-[[(3S)-pyrrolidin-3-yl]methoxy]quinoxaline

C14H17N3O2 — CID 97164916

IUPAC2-methoxy-3-[[(3S)-pyrrolidin-3-yl]methoxy]quinoxaline
SMILESCOc1nc2ccccc2nc1OC[C@H]1CCNC1
InChIInChI=1S/C14H17N3O2/c1-18-13-14(19-9-10-6-7-15-8-10)17-12-5-3-2-4-11(12)16-13/h2-5,10,15H,6-9H2,1H3/t10-/m0/s1
InChIKeyMXMZUGFKTQCKKH-JTQLQIEISA-N
MW259.31 g/mol
LogP1.63
Rot. Bonds4

About 2-methoxy-3-[[(3S)-pyrrolidin-3-yl]methoxy]quinoxaline

2-methoxy-3-[[(3S)-pyrrolidin-3-yl]methoxy]quinoxaline (PubChem CID 97164916) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-methoxy-3-[[(3S)-pyrrolidin-3-yl]methoxy]quinoxaline.

Molecular Properties

Compound Name2-methoxy-3-[[(3S)-pyrrolidin-3-yl]methoxy]quinoxaline
PubChem CID97164916
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name2-methoxy-3-[[(3S)-pyrrolidin-3-yl]methoxy]quinoxaline
SMILESCOc1nc2ccccc2nc1OC[C@H]1CCNC1
InChIInChI=1S/C14H17N3O2/c1-18-13-14(19-9-10-6-7-15-8-10)17-12-5-3-2-4-11(12)16-13/h2-5,10,15H,6-9H2,1H3/t10-/m0/s1
InChIKeyMXMZUGFKTQCKKH-JTQLQIEISA-N
XLogP1.63
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-3-(pyrrolidin-3-ylmethoxy)quinoxaline
CID 71643111
2-ethoxy-3-(piperidin-3-ylmethoxy)quinoxaline
CID 71639733
3-methyl-2-(pyrrolidin-3-ylmethoxy)quinoline
CID 63228996
N-cyclopropyl-3-(pyrrolidin-3-ylmethoxy)quinoxalin-2-amine
CID 71636942
N-cyclopropyl-3-[[(3R)-pyrrolidin-3-yl]methoxy]quinoxalin-2-amine
CID 97178411
2-methyl-3-(piperidin-3-ylmethoxy)quinoxaline
CID 55067629
2-methoxy-3-[3-[(3S)-piperidin-3-yl]propoxy]quinoxaline
CID 97164923
2-(methoxymethyl)-3-(piperidin-4-ylmethoxy)quinoxaline
CID 170395086
3-[[(3S)-piperidin-3-yl]methoxy]quinoxalin-2-amine
CID 97165192
2-chloro-3-(piperidin-4-ylmethoxy)quinoxaline
CID 71640763
3-(piperidin-4-ylmethoxy)quinoxalin-2-amine
CID 71644088
3-[(2-methoxyphenoxy)methyl]pyrrolidine;hydrochloride
CID 56830113

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-[[(3S)-pyrrolidin-3-yl]methoxy]quinoxaline?
The IUPAC name of 2-methoxy-3-[[(3S)-pyrrolidin-3-yl]methoxy]quinoxaline (CID 97164916) is 2-methoxy-3-[[(3S)-pyrrolidin-3-yl]methoxy]quinoxaline.
What is the SMILES notation for 2-methoxy-3-[[(3S)-pyrrolidin-3-yl]methoxy]quinoxaline?
The canonical SMILES for 2-methoxy-3-[[(3S)-pyrrolidin-3-yl]methoxy]quinoxaline is COc1nc2ccccc2nc1OC[C@H]1CCNC1.
What is the InChIKey of 2-methoxy-3-[[(3S)-pyrrolidin-3-yl]methoxy]quinoxaline?
The InChIKey is MXMZUGFKTQCKKH-JTQLQIEISA-N. The full InChI is InChI=1S/C14H17N3O2/c1-18-13-14(19-9-10-6-7-15-8-10)17-12-5-3-2-4-11(12)16-13/h2-5,10,15H,6-9H2,1H3/t10-/m0/s1.
What are the key properties of 2-methoxy-3-[[(3S)-pyrrolidin-3-yl]methoxy]quinoxaline?
2-methoxy-3-[[(3S)-pyrrolidin-3-yl]methoxy]quinoxaline has a molecular weight of 259.31 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-[[(3S)-pyrrolidin-3-yl]methoxy]quinoxaline is sourced from PubChem (CID 97164916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).