2-(quinoxalin-5-ylmethylamino)propan-1-ol

C12H15N3O — CID 104614241

IUPAC2-(quinoxalin-5-ylmethylamino)propan-1-ol
SMILESCC(CO)NCc1cccc2nccnc12
InChIInChI=1S/C12H15N3O/c1-9(8-16)15-7-10-3-2-4-11-12(10)14-6-5-13-11/h2-6,9,15-16H,7-8H2,1H3
InChIKeyROBJLCQPQRRMOI-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.10
Rot. Bonds4

About 2-(quinoxalin-5-ylmethylamino)propan-1-ol

2-(quinoxalin-5-ylmethylamino)propan-1-ol (PubChem CID 104614241) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-(quinoxalin-5-ylmethylamino)propan-1-ol.

Molecular Properties

Compound Name2-(quinoxalin-5-ylmethylamino)propan-1-ol
PubChem CID104614241
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name2-(quinoxalin-5-ylmethylamino)propan-1-ol
SMILESCC(CO)NCc1cccc2nccnc12
InChIInChI=1S/C12H15N3O/c1-9(8-16)15-7-10-3-2-4-11-12(10)14-6-5-13-11/h2-6,9,15-16H,7-8H2,1H3
InChIKeyROBJLCQPQRRMOI-UHFFFAOYSA-N
XLogP1.10
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(quinoxalin-5-ylmethyl)butan-2-amine
CID 104614226
2-methyl-N-(quinoxalin-5-ylmethyl)propan-1-amine
CID 104614216
2-methyl-3-(quinolin-8-ylmethylamino)butan-1-ol
CID 115644489
N'-(2-methylpropyl)-N-(quinoxalin-5-ylmethyl)propane-1,3-diamine
CID 104614269
2-(naphthalen-1-ylmethylamino)propan-1-ol
CID 43499773
N-(quinolin-5-ylmethyl)butan-2-amine
CID 62340535
2-(quinolin-8-ylmethylamino)propanoic acid
CID 43467362
(2R)-2-(isoquinolin-5-ylmethylamino)propan-1-ol
CID 94873246
2-[(2-aminophenyl)methylamino]propan-1-ol
CID 66386252
1-(1-hydroxypropan-2-yl)-3-(quinolin-8-ylmethyl)urea
CID 110909300
2,2,2-trifluoro-N-(quinoxalin-5-ylmethyl)ethanamine
CID 113433192
N'-(quinoxalin-5-ylmethyl)ethane-1,2-diamine
CID 104614230

Frequently Asked Questions

What is the IUPAC name of 2-(quinoxalin-5-ylmethylamino)propan-1-ol?
The IUPAC name of 2-(quinoxalin-5-ylmethylamino)propan-1-ol (CID 104614241) is 2-(quinoxalin-5-ylmethylamino)propan-1-ol.
What is the SMILES notation for 2-(quinoxalin-5-ylmethylamino)propan-1-ol?
The canonical SMILES for 2-(quinoxalin-5-ylmethylamino)propan-1-ol is CC(CO)NCc1cccc2nccnc12.
What is the InChIKey of 2-(quinoxalin-5-ylmethylamino)propan-1-ol?
The InChIKey is ROBJLCQPQRRMOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-9(8-16)15-7-10-3-2-4-11-12(10)14-6-5-13-11/h2-6,9,15-16H,7-8H2,1H3.
What are the key properties of 2-(quinoxalin-5-ylmethylamino)propan-1-ol?
2-(quinoxalin-5-ylmethylamino)propan-1-ol has a molecular weight of 217.27 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(quinoxalin-5-ylmethylamino)propan-1-ol is sourced from PubChem (CID 104614241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).