[1-(3-methoxyquinoxalin-2-yl)pyrrolidin-2-yl]methanol

C14H17N3O2 — CID 71648493

IUPAC[1-(3-methoxyquinoxalin-2-yl)pyrrolidin-2-yl]methanol
SMILESCOc1nc2ccccc2nc1N1CCCC1CO
InChIInChI=1S/C14H17N3O2/c1-19-14-13(17-8-4-5-10(17)9-18)15-11-6-2-3-7-12(11)16-14/h2-3,6-7,10,18H,4-5,8-9H2,1H3
InChIKeyBRAFIZKPFXLKFC-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.60
Rot. Bonds3

About [1-(3-methoxyquinoxalin-2-yl)pyrrolidin-2-yl]methanol

[1-(3-methoxyquinoxalin-2-yl)pyrrolidin-2-yl]methanol (PubChem CID 71648493) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is [1-(3-methoxyquinoxalin-2-yl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-(3-methoxyquinoxalin-2-yl)pyrrolidin-2-yl]methanol
PubChem CID71648493
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name[1-(3-methoxyquinoxalin-2-yl)pyrrolidin-2-yl]methanol
SMILESCOc1nc2ccccc2nc1N1CCCC1CO
InChIInChI=1S/C14H17N3O2/c1-19-14-13(17-8-4-5-10(17)9-18)15-11-6-2-3-7-12(11)16-14/h2-3,6-7,10,18H,4-5,8-9H2,1H3
InChIKeyBRAFIZKPFXLKFC-UHFFFAOYSA-N
XLogP1.60
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R)-1-(3-ethoxyquinoxalin-2-yl)piperidin-2-yl]methanol
CID 97177742
tert-butyl N-[[1-(3-methoxyquinoxalin-2-yl)piperidin-2-yl]methyl]carbamate
CID 71648495
[(2R)-1-[3-(cyclopropylamino)quinoxalin-2-yl]pyrrolidin-2-yl]methanol
CID 97169661
[1-[3-(aminomethyl)quinolin-2-yl]pyrrolidin-2-yl]methanol
CID 61410857
[1-(3-ethoxyquinoxalin-2-yl)piperidin-2-yl]methanamine;hydrochloride
CID 71639684
methyl 3-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-phenylquinoxaline-6-carboxylate
CID 67042109
N'-hydroxy-2-[2-(hydroxymethyl)pyrrolidin-1-yl]quinoline-3-carboximidamide
CID 77034286
[1-(1,3-benzoxazol-2-yl)pyrrolidin-2-yl]methanol
CID 22220871
[1-(6-methoxy-2-pyridinyl)piperidin-2-yl]methanol
CID 63590971
[1-[3-(aminomethyl)quinolin-2-yl]azepan-2-yl]methanol
CID 116634094
[1-(5-amino-6-methoxy-2-pyridinyl)azepan-2-yl]methanol
CID 116633953
1-(3-methoxyquinoxalin-2-yl)-N-methylpiperidin-4-amine;hydrochloride
CID 71642824

Frequently Asked Questions

What is the IUPAC name of [1-(3-methoxyquinoxalin-2-yl)pyrrolidin-2-yl]methanol?
The IUPAC name of [1-(3-methoxyquinoxalin-2-yl)pyrrolidin-2-yl]methanol (CID 71648493) is [1-(3-methoxyquinoxalin-2-yl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-(3-methoxyquinoxalin-2-yl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-(3-methoxyquinoxalin-2-yl)pyrrolidin-2-yl]methanol is COc1nc2ccccc2nc1N1CCCC1CO.
What is the InChIKey of [1-(3-methoxyquinoxalin-2-yl)pyrrolidin-2-yl]methanol?
The InChIKey is BRAFIZKPFXLKFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-19-14-13(17-8-4-5-10(17)9-18)15-11-6-2-3-7-12(11)16-14/h2-3,6-7,10,18H,4-5,8-9H2,1H3.
What are the key properties of [1-(3-methoxyquinoxalin-2-yl)pyrrolidin-2-yl]methanol?
[1-(3-methoxyquinoxalin-2-yl)pyrrolidin-2-yl]methanol has a molecular weight of 259.31 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-methoxyquinoxalin-2-yl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 71648493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).