4-[(3-aminoquinoxalin-2-yl)amino]butanamide

C12H15N5O — CID 102983771

IUPAC4-[(3-aminoquinoxalin-2-yl)amino]butanamide
SMILESNC(=O)CCCNc1nc2ccccc2nc1N
InChIInChI=1S/C12H15N5O/c13-10(18)6-3-7-15-12-11(14)16-8-4-1-2-5-9(8)17-12/h1-2,4-5H,3,6-7H2,(H2,13,18)(H2,14,16)(H,15,17)
InChIKeyQGJVINLOLNCEKK-UHFFFAOYSA-N
MW245.29 g/mol
LogP0.89
Rot. Bonds5

About 4-[(3-aminoquinoxalin-2-yl)amino]butanamide

4-[(3-aminoquinoxalin-2-yl)amino]butanamide (PubChem CID 102983771) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is 4-[(3-aminoquinoxalin-2-yl)amino]butanamide.

Molecular Properties

Compound Name4-[(3-aminoquinoxalin-2-yl)amino]butanamide
PubChem CID102983771
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name4-[(3-aminoquinoxalin-2-yl)amino]butanamide
SMILESNC(=O)CCCNc1nc2ccccc2nc1N
InChIInChI=1S/C12H15N5O/c13-10(18)6-3-7-15-12-11(14)16-8-4-1-2-5-9(8)17-12/h1-2,4-5H,3,6-7H2,(H2,13,18)(H2,14,16)(H,15,17)
InChIKeyQGJVINLOLNCEKK-UHFFFAOYSA-N
XLogP0.89
TPSA106.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-aminoquinoxalin-2-yl)amino]butanamide?
The IUPAC name of 4-[(3-aminoquinoxalin-2-yl)amino]butanamide (CID 102983771) is 4-[(3-aminoquinoxalin-2-yl)amino]butanamide.
What is the SMILES notation for 4-[(3-aminoquinoxalin-2-yl)amino]butanamide?
The canonical SMILES for 4-[(3-aminoquinoxalin-2-yl)amino]butanamide is NC(=O)CCCNc1nc2ccccc2nc1N.
What is the InChIKey of 4-[(3-aminoquinoxalin-2-yl)amino]butanamide?
The InChIKey is QGJVINLOLNCEKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c13-10(18)6-3-7-15-12-11(14)16-8-4-1-2-5-9(8)17-12/h1-2,4-5H,3,6-7H2,(H2,13,18)(H2,14,16)(H,15,17).
What are the key properties of 4-[(3-aminoquinoxalin-2-yl)amino]butanamide?
4-[(3-aminoquinoxalin-2-yl)amino]butanamide has a molecular weight of 245.29 g/mol, XLogP of 0.89, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-aminoquinoxalin-2-yl)amino]butanamide is sourced from PubChem (CID 102983771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).