3-quinoxalin-2-ylpropan-1-ol

C11H12N2O — CID 22419324

IUPAC3-quinoxalin-2-ylpropan-1-ol
SMILESOCCCc1cnc2ccccc2n1
InChIInChI=1S/C11H12N2O/c14-7-3-4-9-8-12-10-5-1-2-6-11(10)13-9/h1-2,5-6,8,14H,3-4,7H2
InChIKeyBHSVLGPGAXSVAH-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.55
Rot. Bonds3

About 3-quinoxalin-2-ylpropan-1-ol

3-quinoxalin-2-ylpropan-1-ol (PubChem CID 22419324) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 3-quinoxalin-2-ylpropan-1-ol.

Molecular Properties

Compound Name3-quinoxalin-2-ylpropan-1-ol
PubChem CID22419324
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name3-quinoxalin-2-ylpropan-1-ol
SMILESOCCCc1cnc2ccccc2n1
InChIInChI=1S/C11H12N2O/c14-7-3-4-9-8-12-10-5-1-2-6-11(10)13-9/h1-2,5-6,8,14H,3-4,7H2
InChIKeyBHSVLGPGAXSVAH-UHFFFAOYSA-N
XLogP1.55
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Quinoxaline
CID 7045
2-Methylquinoxaline
CID 23686
2-Tribromomethylquinoxaline
CID 96377
Quinoxalin-2-ylmethanol
CID 905614
2-Quinoxalineacetonitrile
CID 290794
2-(Trifluoromethyl)quinoxaline
CID 10352693
Quinoxaline, 1-oxide
CID 23363
1-(2-Quinoxalinyl)-1,2,3,4-butanetetrol
CID 260008
3-Quinoxalin-2-yl-acrylic acid
CID 1549954
2-Bromoquinoxaline
CID 582225
2-Quinoxalinecarbonitrile
CID 593212
2-Fluoroquinoxaline
CID 10942599

Frequently Asked Questions

What is the IUPAC name of 3-quinoxalin-2-ylpropan-1-ol?
The IUPAC name of 3-quinoxalin-2-ylpropan-1-ol (CID 22419324) is 3-quinoxalin-2-ylpropan-1-ol.
What is the SMILES notation for 3-quinoxalin-2-ylpropan-1-ol?
The canonical SMILES for 3-quinoxalin-2-ylpropan-1-ol is OCCCc1cnc2ccccc2n1.
What is the InChIKey of 3-quinoxalin-2-ylpropan-1-ol?
The InChIKey is BHSVLGPGAXSVAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c14-7-3-4-9-8-12-10-5-1-2-6-11(10)13-9/h1-2,5-6,8,14H,3-4,7H2.
What are the key properties of 3-quinoxalin-2-ylpropan-1-ol?
3-quinoxalin-2-ylpropan-1-ol has a molecular weight of 188.23 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-quinoxalin-2-ylpropan-1-ol is sourced from PubChem (CID 22419324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).