7-amino-6-(4-methylpiperazin-1-yl)-1H-quinoxalin-2-one

C13H17N5O — CID 53465393

IUPAC7-amino-6-(4-methylpiperazin-1-yl)-1H-quinoxalin-2-one
SMILESCN1CCN(c2cc3ncc(=O)[nH]c3cc2N)CC1
InChIInChI=1S/C13H17N5O/c1-17-2-4-18(5-3-17)12-7-10-11(6-9(12)14)16-13(19)8-15-10/h6-8H,2-5,14H2,1H3,(H,16,19)
InChIKeyFQVIRQGOMFFQRO-UHFFFAOYSA-N
MW259.31 g/mol
LogP0.26
Rot. Bonds1

About 7-amino-6-(4-methylpiperazin-1-yl)-1H-quinoxalin-2-one

7-amino-6-(4-methylpiperazin-1-yl)-1H-quinoxalin-2-one (PubChem CID 53465393) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 7-amino-6-(4-methylpiperazin-1-yl)-1H-quinoxalin-2-one.

Molecular Properties

Compound Name7-amino-6-(4-methylpiperazin-1-yl)-1H-quinoxalin-2-one
PubChem CID53465393
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name7-amino-6-(4-methylpiperazin-1-yl)-1H-quinoxalin-2-one
SMILESCN1CCN(c2cc3ncc(=O)[nH]c3cc2N)CC1
InChIInChI=1S/C13H17N5O/c1-17-2-4-18(5-3-17)12-7-10-11(6-9(12)14)16-13(19)8-15-10/h6-8H,2-5,14H2,1H3,(H,16,19)
InChIKeyFQVIRQGOMFFQRO-UHFFFAOYSA-N
XLogP0.26
TPSA78.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-amino-6-(4-methylpiperazin-1-yl)-1H-quinoxalin-2-one?
The IUPAC name of 7-amino-6-(4-methylpiperazin-1-yl)-1H-quinoxalin-2-one (CID 53465393) is 7-amino-6-(4-methylpiperazin-1-yl)-1H-quinoxalin-2-one.
What is the SMILES notation for 7-amino-6-(4-methylpiperazin-1-yl)-1H-quinoxalin-2-one?
The canonical SMILES for 7-amino-6-(4-methylpiperazin-1-yl)-1H-quinoxalin-2-one is CN1CCN(c2cc3ncc(=O)[nH]c3cc2N)CC1.
What is the InChIKey of 7-amino-6-(4-methylpiperazin-1-yl)-1H-quinoxalin-2-one?
The InChIKey is FQVIRQGOMFFQRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-17-2-4-18(5-3-17)12-7-10-11(6-9(12)14)16-13(19)8-15-10/h6-8H,2-5,14H2,1H3,(H,16,19).
What are the key properties of 7-amino-6-(4-methylpiperazin-1-yl)-1H-quinoxalin-2-one?
7-amino-6-(4-methylpiperazin-1-yl)-1H-quinoxalin-2-one has a molecular weight of 259.31 g/mol, XLogP of 0.26, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-6-(4-methylpiperazin-1-yl)-1H-quinoxalin-2-one is sourced from PubChem (CID 53465393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).