(3R)-1-(3-chloroquinoxalin-2-yl)pyrrolidin-3-ol

C12H12ClN3O — CID 71649300

IUPAC(3R)-1-(3-chloroquinoxalin-2-yl)pyrrolidin-3-ol
SMILESO[C@@H]1CCN(c2nc3ccccc3nc2Cl)C1
InChIInChI=1S/C12H12ClN3O/c13-11-12(16-6-5-8(17)7-16)15-10-4-2-1-3-9(10)14-11/h1-4,8,17H,5-7H2/t8-/m1/s1
InChIKeyHBFUGAVJMCZUGI-MRVPVSSYSA-N
MW249.70 g/mol
LogP1.85
Rot. Bonds1

About (3R)-1-(3-chloroquinoxalin-2-yl)pyrrolidin-3-ol

(3R)-1-(3-chloroquinoxalin-2-yl)pyrrolidin-3-ol (PubChem CID 71649300) has the molecular formula C12H12ClN3O and a molecular weight of 249.70 g/mol. Its IUPAC name is (3R)-1-(3-chloroquinoxalin-2-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-(3-chloroquinoxalin-2-yl)pyrrolidin-3-ol
PubChem CID71649300
Molecular FormulaC12H12ClN3O
Molecular Weight249.70 g/mol
Exact Mass249.07
IUPAC Name(3R)-1-(3-chloroquinoxalin-2-yl)pyrrolidin-3-ol
SMILESO[C@@H]1CCN(c2nc3ccccc3nc2Cl)C1
InChIInChI=1S/C12H12ClN3O/c13-11-12(16-6-5-8(17)7-16)15-10-4-2-1-3-9(10)14-11/h1-4,8,17H,5-7H2/t8-/m1/s1
InChIKeyHBFUGAVJMCZUGI-MRVPVSSYSA-N
XLogP1.85
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.70
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-(3-chloroquinoxalin-2-yl)pyrrolidin-3-ol?
The IUPAC name of (3R)-1-(3-chloroquinoxalin-2-yl)pyrrolidin-3-ol (CID 71649300) is (3R)-1-(3-chloroquinoxalin-2-yl)pyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-(3-chloroquinoxalin-2-yl)pyrrolidin-3-ol?
The canonical SMILES for (3R)-1-(3-chloroquinoxalin-2-yl)pyrrolidin-3-ol is O[C@@H]1CCN(c2nc3ccccc3nc2Cl)C1.
What is the InChIKey of (3R)-1-(3-chloroquinoxalin-2-yl)pyrrolidin-3-ol?
The InChIKey is HBFUGAVJMCZUGI-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H12ClN3O/c13-11-12(16-6-5-8(17)7-16)15-10-4-2-1-3-9(10)14-11/h1-4,8,17H,5-7H2/t8-/m1/s1.
What are the key properties of (3R)-1-(3-chloroquinoxalin-2-yl)pyrrolidin-3-ol?
(3R)-1-(3-chloroquinoxalin-2-yl)pyrrolidin-3-ol has a molecular weight of 249.70 g/mol, XLogP of 1.85, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(3-chloroquinoxalin-2-yl)pyrrolidin-3-ol is sourced from PubChem (CID 71649300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).