2-[methyl(quinoxalin-2-yl)amino]propan-1-ol

C12H15N3O — CID 115765248

IUPAC2-[methyl(quinoxalin-2-yl)amino]propan-1-ol
SMILESCC(CO)N(C)c1cnc2ccccc2n1
InChIInChI=1S/C12H15N3O/c1-9(8-16)15(2)12-7-13-10-5-3-4-6-11(10)14-12/h3-7,9,16H,8H2,1-2H3
InChIKeyGGABTUFCGMKPBD-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.45
Rot. Bonds3

About 2-[methyl(quinoxalin-2-yl)amino]propan-1-ol

2-[methyl(quinoxalin-2-yl)amino]propan-1-ol (PubChem CID 115765248) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-[methyl(quinoxalin-2-yl)amino]propan-1-ol.

Molecular Properties

Compound Name2-[methyl(quinoxalin-2-yl)amino]propan-1-ol
PubChem CID115765248
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name2-[methyl(quinoxalin-2-yl)amino]propan-1-ol
SMILESCC(CO)N(C)c1cnc2ccccc2n1
InChIInChI=1S/C12H15N3O/c1-9(8-16)15(2)12-7-13-10-5-3-4-6-11(10)14-12/h3-7,9,16H,8H2,1-2H3
InChIKeyGGABTUFCGMKPBD-UHFFFAOYSA-N
XLogP1.45
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(quinoxalin-2-yl)amino]propan-1-ol?
The IUPAC name of 2-[methyl(quinoxalin-2-yl)amino]propan-1-ol (CID 115765248) is 2-[methyl(quinoxalin-2-yl)amino]propan-1-ol.
What is the SMILES notation for 2-[methyl(quinoxalin-2-yl)amino]propan-1-ol?
The canonical SMILES for 2-[methyl(quinoxalin-2-yl)amino]propan-1-ol is CC(CO)N(C)c1cnc2ccccc2n1.
What is the InChIKey of 2-[methyl(quinoxalin-2-yl)amino]propan-1-ol?
The InChIKey is GGABTUFCGMKPBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-9(8-16)15(2)12-7-13-10-5-3-4-6-11(10)14-12/h3-7,9,16H,8H2,1-2H3.
What are the key properties of 2-[methyl(quinoxalin-2-yl)amino]propan-1-ol?
2-[methyl(quinoxalin-2-yl)amino]propan-1-ol has a molecular weight of 217.27 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(quinoxalin-2-yl)amino]propan-1-ol is sourced from PubChem (CID 115765248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).