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

C13H14ClN3O — CID 71650041

IUPAC[1-(3-chloroquinoxalin-2-yl)pyrrolidin-3-yl]methanol
SMILESOCC1CCN(c2nc3ccccc3nc2Cl)C1
InChIInChI=1S/C13H14ClN3O/c14-12-13(17-6-5-9(7-17)8-18)16-11-4-2-1-3-10(11)15-12/h1-4,9,18H,5-8H2
InChIKeyUXBMOCKVHLDKMO-UHFFFAOYSA-N
MW263.73 g/mol
LogP2.10
Rot. Bonds2

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

[1-(3-chloroquinoxalin-2-yl)pyrrolidin-3-yl]methanol (PubChem CID 71650041) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is [1-(3-chloroquinoxalin-2-yl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(3-chloroquinoxalin-2-yl)pyrrolidin-3-yl]methanol
PubChem CID71650041
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC Name[1-(3-chloroquinoxalin-2-yl)pyrrolidin-3-yl]methanol
SMILESOCC1CCN(c2nc3ccccc3nc2Cl)C1
InChIInChI=1S/C13H14ClN3O/c14-12-13(17-6-5-9(7-17)8-18)16-11-4-2-1-3-10(11)15-12/h1-4,9,18H,5-8H2
InChIKeyUXBMOCKVHLDKMO-UHFFFAOYSA-N
XLogP2.10
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(3-chloroquinoxalin-2-yl)pyrrolidin-3-yl]methanol?
The IUPAC name of [1-(3-chloroquinoxalin-2-yl)pyrrolidin-3-yl]methanol (CID 71650041) is [1-(3-chloroquinoxalin-2-yl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-(3-chloroquinoxalin-2-yl)pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-(3-chloroquinoxalin-2-yl)pyrrolidin-3-yl]methanol is OCC1CCN(c2nc3ccccc3nc2Cl)C1.
What is the InChIKey of [1-(3-chloroquinoxalin-2-yl)pyrrolidin-3-yl]methanol?
The InChIKey is UXBMOCKVHLDKMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O/c14-12-13(17-6-5-9(7-17)8-18)16-11-4-2-1-3-10(11)15-12/h1-4,9,18H,5-8H2.
What are the key properties of [1-(3-chloroquinoxalin-2-yl)pyrrolidin-3-yl]methanol?
[1-(3-chloroquinoxalin-2-yl)pyrrolidin-3-yl]methanol has a molecular weight of 263.73 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chloroquinoxalin-2-yl)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 71650041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).