1-(1-amino-2-methylpropan-2-yl)-3-methylquinoxalin-2-one

C13H17N3O — CID 104523267

IUPAC1-(1-amino-2-methylpropan-2-yl)-3-methylquinoxalin-2-one
SMILESCc1nc2ccccc2n(C(C)(C)CN)c1=O
InChIInChI=1S/C13H17N3O/c1-9-12(17)16(13(2,3)8-14)11-7-5-4-6-10(11)15-9/h4-7H,8,14H2,1-3H3
InChIKeyMVUINRUIUYPBIF-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.40
Rot. Bonds2

About 1-(1-amino-2-methylpropan-2-yl)-3-methylquinoxalin-2-one

1-(1-amino-2-methylpropan-2-yl)-3-methylquinoxalin-2-one (PubChem CID 104523267) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 1-(1-amino-2-methylpropan-2-yl)-3-methylquinoxalin-2-one.

Molecular Properties

Compound Name1-(1-amino-2-methylpropan-2-yl)-3-methylquinoxalin-2-one
PubChem CID104523267
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name1-(1-amino-2-methylpropan-2-yl)-3-methylquinoxalin-2-one
SMILESCc1nc2ccccc2n(C(C)(C)CN)c1=O
InChIInChI=1S/C13H17N3O/c1-9-12(17)16(13(2,3)8-14)11-7-5-4-6-10(11)15-9/h4-7H,8,14H2,1-3H3
InChIKeyMVUINRUIUYPBIF-UHFFFAOYSA-N
XLogP1.40
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-amino-2-methylpropan-2-yl)-3-methylquinoxalin-2-one?
The IUPAC name of 1-(1-amino-2-methylpropan-2-yl)-3-methylquinoxalin-2-one (CID 104523267) is 1-(1-amino-2-methylpropan-2-yl)-3-methylquinoxalin-2-one.
What is the SMILES notation for 1-(1-amino-2-methylpropan-2-yl)-3-methylquinoxalin-2-one?
The canonical SMILES for 1-(1-amino-2-methylpropan-2-yl)-3-methylquinoxalin-2-one is Cc1nc2ccccc2n(C(C)(C)CN)c1=O.
What is the InChIKey of 1-(1-amino-2-methylpropan-2-yl)-3-methylquinoxalin-2-one?
The InChIKey is MVUINRUIUYPBIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-9-12(17)16(13(2,3)8-14)11-7-5-4-6-10(11)15-9/h4-7H,8,14H2,1-3H3.
What are the key properties of 1-(1-amino-2-methylpropan-2-yl)-3-methylquinoxalin-2-one?
1-(1-amino-2-methylpropan-2-yl)-3-methylquinoxalin-2-one has a molecular weight of 231.30 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-amino-2-methylpropan-2-yl)-3-methylquinoxalin-2-one is sourced from PubChem (CID 104523267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).