4-(6-amino-5,5-dimethylhexyl)-1,3-dihydroquinoxalin-2-one

C16H25N3O — CID 106707878

IUPAC4-(6-amino-5,5-dimethylhexyl)-1,3-dihydroquinoxalin-2-one
SMILESCC(C)(CN)CCCCN1CC(=O)Nc2ccccc21
InChIInChI=1S/C16H25N3O/c1-16(2,12-17)9-5-6-10-19-11-15(20)18-13-7-3-4-8-14(13)19/h3-4,7-8H,5-6,9-12,17H2,1-2H3,(H,18,20)
InChIKeyCIJJSHDGRHTCRA-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.60
Rot. Bonds6

About 4-(6-amino-5,5-dimethylhexyl)-1,3-dihydroquinoxalin-2-one

4-(6-amino-5,5-dimethylhexyl)-1,3-dihydroquinoxalin-2-one (PubChem CID 106707878) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 4-(6-amino-5,5-dimethylhexyl)-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-(6-amino-5,5-dimethylhexyl)-1,3-dihydroquinoxalin-2-one
PubChem CID106707878
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name4-(6-amino-5,5-dimethylhexyl)-1,3-dihydroquinoxalin-2-one
SMILESCC(C)(CN)CCCCN1CC(=O)Nc2ccccc21
InChIInChI=1S/C16H25N3O/c1-16(2,12-17)9-5-6-10-19-11-15(20)18-13-7-3-4-8-14(13)19/h3-4,7-8H,5-6,9-12,17H2,1-2H3,(H,18,20)
InChIKeyCIJJSHDGRHTCRA-UHFFFAOYSA-N
XLogP2.60
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(6-amino-5,5-dimethylhexyl)-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-(6-amino-5,5-dimethylhexyl)-1,3-dihydroquinoxalin-2-one (CID 106707878) is 4-(6-amino-5,5-dimethylhexyl)-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-(6-amino-5,5-dimethylhexyl)-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-(6-amino-5,5-dimethylhexyl)-1,3-dihydroquinoxalin-2-one is CC(C)(CN)CCCCN1CC(=O)Nc2ccccc21.
What is the InChIKey of 4-(6-amino-5,5-dimethylhexyl)-1,3-dihydroquinoxalin-2-one?
The InChIKey is CIJJSHDGRHTCRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-16(2,12-17)9-5-6-10-19-11-15(20)18-13-7-3-4-8-14(13)19/h3-4,7-8H,5-6,9-12,17H2,1-2H3,(H,18,20).
What are the key properties of 4-(6-amino-5,5-dimethylhexyl)-1,3-dihydroquinoxalin-2-one?
4-(6-amino-5,5-dimethylhexyl)-1,3-dihydroquinoxalin-2-one has a molecular weight of 275.40 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-amino-5,5-dimethylhexyl)-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 106707878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).