(3-methyl-1-quinoxalin-2-ylpyrrolidin-2-yl)methanol

C14H17N3O — CID 102786728

IUPAC(3-methyl-1-quinoxalin-2-ylpyrrolidin-2-yl)methanol
SMILESCC1CCN(c2cnc3ccccc3n2)C1CO
InChIInChI=1S/C14H17N3O/c1-10-6-7-17(13(10)9-18)14-8-15-11-4-2-3-5-12(11)16-14/h2-5,8,10,13,18H,6-7,9H2,1H3
InChIKeyDHTIUSPVGZKSEI-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.84
Rot. Bonds2

About (3-methyl-1-quinoxalin-2-ylpyrrolidin-2-yl)methanol

(3-methyl-1-quinoxalin-2-ylpyrrolidin-2-yl)methanol (PubChem CID 102786728) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is (3-methyl-1-quinoxalin-2-ylpyrrolidin-2-yl)methanol.

Molecular Properties

Compound Name(3-methyl-1-quinoxalin-2-ylpyrrolidin-2-yl)methanol
PubChem CID102786728
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name(3-methyl-1-quinoxalin-2-ylpyrrolidin-2-yl)methanol
SMILESCC1CCN(c2cnc3ccccc3n2)C1CO
InChIInChI=1S/C14H17N3O/c1-10-6-7-17(13(10)9-18)14-8-15-11-4-2-3-5-12(11)16-14/h2-5,8,10,13,18H,6-7,9H2,1H3
InChIKeyDHTIUSPVGZKSEI-UHFFFAOYSA-N
XLogP1.84
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[5-(hydroxymethyl)pyrazin-2-yl]-3-methylpyrrolidin-2-yl]methanol
CID 107372994
[1-(6-hydrazinyl-2-pyridinyl)-3-methylpyrrolidin-2-yl]methanol
CID 102789983
6-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]pyridine-3-carbonitrile
CID 102780806
1-[6-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-3-pyridinyl]ethanol
CID 102782297
[1-(2-aminophenyl)-3-methylpyrrolidin-2-yl]methanol
CID 102777296
[1-(4,6-dimethylpyrimidin-2-yl)-3-methylpyrrolidin-2-yl]methanol
CID 102787035
2-(4-cyclopropyl-2-methylpiperazin-1-yl)quinoxaline
CID 162634693
[(3S)-1-quinoxalin-2-ylpiperidin-3-yl]methanol
CID 33370711
N-[(1-quinoxalin-2-ylpyrrolidin-2-yl)methyl]ethanamine
CID 55090959
(1S)-1-[2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-4-pyridinyl]ethanol
CID 102782329
[(2S,3R)-1-(3-fluoro-2-pyridinyl)-3-methylpyrrolidin-2-yl]methanol
CID 129413727
[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-3-methylpyrrolidin-2-yl]methanol
CID 102786850

Frequently Asked Questions

What is the IUPAC name of (3-methyl-1-quinoxalin-2-ylpyrrolidin-2-yl)methanol?
The IUPAC name of (3-methyl-1-quinoxalin-2-ylpyrrolidin-2-yl)methanol (CID 102786728) is (3-methyl-1-quinoxalin-2-ylpyrrolidin-2-yl)methanol.
What is the SMILES notation for (3-methyl-1-quinoxalin-2-ylpyrrolidin-2-yl)methanol?
The canonical SMILES for (3-methyl-1-quinoxalin-2-ylpyrrolidin-2-yl)methanol is CC1CCN(c2cnc3ccccc3n2)C1CO.
What is the InChIKey of (3-methyl-1-quinoxalin-2-ylpyrrolidin-2-yl)methanol?
The InChIKey is DHTIUSPVGZKSEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-10-6-7-17(13(10)9-18)14-8-15-11-4-2-3-5-12(11)16-14/h2-5,8,10,13,18H,6-7,9H2,1H3.
What are the key properties of (3-methyl-1-quinoxalin-2-ylpyrrolidin-2-yl)methanol?
(3-methyl-1-quinoxalin-2-ylpyrrolidin-2-yl)methanol has a molecular weight of 243.31 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1-quinoxalin-2-ylpyrrolidin-2-yl)methanol is sourced from PubChem (CID 102786728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).