1-[(3-phenylquinoxalin-2-yl)amino]propan-2-ol

C17H17N3O — CID 6471916

IUPAC1-[(3-phenylquinoxalin-2-yl)amino]propan-2-ol
SMILESCC(O)CNc1nc2ccccc2nc1-c1ccccc1
InChIInChI=1S/C17H17N3O/c1-12(21)11-18-17-16(13-7-3-2-4-8-13)19-14-9-5-6-10-15(14)20-17/h2-10,12,21H,11H2,1H3,(H,18,20)
InChIKeyXIQNSIJKQLDSNC-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.09
Rot. Bonds4

About 1-[(3-phenylquinoxalin-2-yl)amino]propan-2-ol

1-[(3-phenylquinoxalin-2-yl)amino]propan-2-ol (PubChem CID 6471916) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 1-[(3-phenylquinoxalin-2-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1-[(3-phenylquinoxalin-2-yl)amino]propan-2-ol
PubChem CID6471916
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name1-[(3-phenylquinoxalin-2-yl)amino]propan-2-ol
SMILESCC(O)CNc1nc2ccccc2nc1-c1ccccc1
InChIInChI=1S/C17H17N3O/c1-12(21)11-18-17-16(13-7-3-2-4-8-13)19-14-9-5-6-10-15(14)20-17/h2-10,12,21H,11H2,1H3,(H,18,20)
InChIKeyXIQNSIJKQLDSNC-UHFFFAOYSA-N
XLogP3.09
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-phenylquinoxalin-2-yl)amino]propan-2-ol?
The IUPAC name of 1-[(3-phenylquinoxalin-2-yl)amino]propan-2-ol (CID 6471916) is 1-[(3-phenylquinoxalin-2-yl)amino]propan-2-ol.
What is the SMILES notation for 1-[(3-phenylquinoxalin-2-yl)amino]propan-2-ol?
The canonical SMILES for 1-[(3-phenylquinoxalin-2-yl)amino]propan-2-ol is CC(O)CNc1nc2ccccc2nc1-c1ccccc1.
What is the InChIKey of 1-[(3-phenylquinoxalin-2-yl)amino]propan-2-ol?
The InChIKey is XIQNSIJKQLDSNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-12(21)11-18-17-16(13-7-3-2-4-8-13)19-14-9-5-6-10-15(14)20-17/h2-10,12,21H,11H2,1H3,(H,18,20).
What are the key properties of 1-[(3-phenylquinoxalin-2-yl)amino]propan-2-ol?
1-[(3-phenylquinoxalin-2-yl)amino]propan-2-ol has a molecular weight of 279.34 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-phenylquinoxalin-2-yl)amino]propan-2-ol is sourced from PubChem (CID 6471916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).