3-(1,4-dimethyl-2,3-dihydroquinoxalin-5-yl)propan-1-ol

C13H20N2O — CID 117314757

IUPAC3-(1,4-dimethyl-2,3-dihydroquinoxalin-5-yl)propan-1-ol
SMILESCN1CCN(C)c2c(CCCO)cccc21
InChIInChI=1S/C13H20N2O/c1-14-8-9-15(2)13-11(6-4-10-16)5-3-7-12(13)14/h3,5,7,16H,4,6,8-10H2,1-2H3
InChIKeyRVRQVLWINQKNGO-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.50
Rot. Bonds3

About 3-(1,4-dimethyl-2,3-dihydroquinoxalin-5-yl)propan-1-ol

3-(1,4-dimethyl-2,3-dihydroquinoxalin-5-yl)propan-1-ol (PubChem CID 117314757) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 3-(1,4-dimethyl-2,3-dihydroquinoxalin-5-yl)propan-1-ol.

Molecular Properties

Compound Name3-(1,4-dimethyl-2,3-dihydroquinoxalin-5-yl)propan-1-ol
PubChem CID117314757
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name3-(1,4-dimethyl-2,3-dihydroquinoxalin-5-yl)propan-1-ol
SMILESCN1CCN(C)c2c(CCCO)cccc21
InChIInChI=1S/C13H20N2O/c1-14-8-9-15(2)13-11(6-4-10-16)5-3-7-12(13)14/h3,5,7,16H,4,6,8-10H2,1-2H3
InChIKeyRVRQVLWINQKNGO-UHFFFAOYSA-N
XLogP1.50
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1,4-dimethyl-2,3-dihydroquinoxalin-5-yl)propan-1-ol?
The IUPAC name of 3-(1,4-dimethyl-2,3-dihydroquinoxalin-5-yl)propan-1-ol (CID 117314757) is 3-(1,4-dimethyl-2,3-dihydroquinoxalin-5-yl)propan-1-ol.
What is the SMILES notation for 3-(1,4-dimethyl-2,3-dihydroquinoxalin-5-yl)propan-1-ol?
The canonical SMILES for 3-(1,4-dimethyl-2,3-dihydroquinoxalin-5-yl)propan-1-ol is CN1CCN(C)c2c(CCCO)cccc21.
What is the InChIKey of 3-(1,4-dimethyl-2,3-dihydroquinoxalin-5-yl)propan-1-ol?
The InChIKey is RVRQVLWINQKNGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-14-8-9-15(2)13-11(6-4-10-16)5-3-7-12(13)14/h3,5,7,16H,4,6,8-10H2,1-2H3.
What are the key properties of 3-(1,4-dimethyl-2,3-dihydroquinoxalin-5-yl)propan-1-ol?
3-(1,4-dimethyl-2,3-dihydroquinoxalin-5-yl)propan-1-ol has a molecular weight of 220.32 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,4-dimethyl-2,3-dihydroquinoxalin-5-yl)propan-1-ol is sourced from PubChem (CID 117314757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).