8-amino-3,3-dimethyl-1-propan-2-yl-4H-quinoxalin-2-one

C13H19N3O — CID 115096054

IUPAC8-amino-3,3-dimethyl-1-propan-2-yl-4H-quinoxalin-2-one
SMILESCC(C)N1C(=O)C(C)(C)Nc2cccc(N)c21
InChIInChI=1S/C13H19N3O/c1-8(2)16-11-9(14)6-5-7-10(11)15-13(3,4)12(16)17/h5-8,15H,14H2,1-4H3
InChIKeyOHJDBDYGSNSCSN-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.21
Rot. Bonds1

About 8-amino-3,3-dimethyl-1-propan-2-yl-4H-quinoxalin-2-one

8-amino-3,3-dimethyl-1-propan-2-yl-4H-quinoxalin-2-one (PubChem CID 115096054) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 8-amino-3,3-dimethyl-1-propan-2-yl-4H-quinoxalin-2-one.

Molecular Properties

Compound Name8-amino-3,3-dimethyl-1-propan-2-yl-4H-quinoxalin-2-one
PubChem CID115096054
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name8-amino-3,3-dimethyl-1-propan-2-yl-4H-quinoxalin-2-one
SMILESCC(C)N1C(=O)C(C)(C)Nc2cccc(N)c21
InChIInChI=1S/C13H19N3O/c1-8(2)16-11-9(14)6-5-7-10(11)15-13(3,4)12(16)17/h5-8,15H,14H2,1-4H3
InChIKeyOHJDBDYGSNSCSN-UHFFFAOYSA-N
XLogP2.21
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

8-(aminomethyl)-3,3-dimethyl-1-propan-2-yl-4H-quinoxalin-2-one
CID 115096051
1,3,3-trimethyl-8-propan-2-yl-4H-quinoxalin-2-one
CID 84627207
6,7-dichloro-3,3-dimethyl-1-propan-2-yl-4H-quinoxalin-2-one
CID 82157685
5-amino-3,3,4-trimethyl-1H-quinoxalin-2-one
CID 68708180
5-methoxy-3,3-dimethyl-1-propan-2-yl-4H-quinoxalin-2-one
CID 115094901
7-(hydroxymethyl)-3,3-dimethyl-1-propan-2-yl-4H-quinoxalin-2-one
CID 115096214
1-ethyl-8-fluoro-3,3-dimethyl-4H-quinoxalin-2-one
CID 115095078
5-amino-1-propan-2-yl-3,4-dihydroquinazolin-2-one
CID 57415940
3,3-dimethyl-1-(3-propan-2-ylphenyl)-1,4-diazepane-2,5-dione
CID 64959882
3,3-dimethyl-1,4-di(propan-2-yl)indol-2-one
CID 171748299
2-(3,3-dimethyl-2-oxo-4H-quinoxalin-1-yl)acetic acid
CID 82157084
8-amino-4-propan-2-yl-1,3-dihydroquinoxalin-2-one
CID 115096604

Frequently Asked Questions

What is the IUPAC name of 8-amino-3,3-dimethyl-1-propan-2-yl-4H-quinoxalin-2-one?
The IUPAC name of 8-amino-3,3-dimethyl-1-propan-2-yl-4H-quinoxalin-2-one (CID 115096054) is 8-amino-3,3-dimethyl-1-propan-2-yl-4H-quinoxalin-2-one.
What is the SMILES notation for 8-amino-3,3-dimethyl-1-propan-2-yl-4H-quinoxalin-2-one?
The canonical SMILES for 8-amino-3,3-dimethyl-1-propan-2-yl-4H-quinoxalin-2-one is CC(C)N1C(=O)C(C)(C)Nc2cccc(N)c21.
What is the InChIKey of 8-amino-3,3-dimethyl-1-propan-2-yl-4H-quinoxalin-2-one?
The InChIKey is OHJDBDYGSNSCSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-8(2)16-11-9(14)6-5-7-10(11)15-13(3,4)12(16)17/h5-8,15H,14H2,1-4H3.
What are the key properties of 8-amino-3,3-dimethyl-1-propan-2-yl-4H-quinoxalin-2-one?
8-amino-3,3-dimethyl-1-propan-2-yl-4H-quinoxalin-2-one has a molecular weight of 233.31 g/mol, XLogP of 2.21, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-3,3-dimethyl-1-propan-2-yl-4H-quinoxalin-2-one is sourced from PubChem (CID 115096054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).