3-amino-1-(3-methylbut-2-enyl)quinoxalin-2-one

C13H15N3O — CID 139679717

IUPAC3-amino-1-(3-methylbut-2-enyl)quinoxalin-2-one
SMILESCC(C)=CCn1c(=O)c(N)nc2ccccc21
InChIInChI=1S/C13H15N3O/c1-9(2)7-8-16-11-6-4-3-5-10(11)15-12(14)13(16)17/h3-7H,8H2,1-2H3,(H2,14,15)
InChIKeyJJVZRYPIWIVLQW-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.94
Rot. Bonds2

About 3-amino-1-(3-methylbut-2-enyl)quinoxalin-2-one

3-amino-1-(3-methylbut-2-enyl)quinoxalin-2-one (PubChem CID 139679717) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 3-amino-1-(3-methylbut-2-enyl)quinoxalin-2-one.

Molecular Properties

Compound Name3-amino-1-(3-methylbut-2-enyl)quinoxalin-2-one
PubChem CID139679717
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name3-amino-1-(3-methylbut-2-enyl)quinoxalin-2-one
SMILESCC(C)=CCn1c(=O)c(N)nc2ccccc21
InChIInChI=1S/C13H15N3O/c1-9(2)7-8-16-11-6-4-3-5-10(11)15-12(14)13(16)17/h3-7H,8H2,1-2H3,(H2,14,15)
InChIKeyJJVZRYPIWIVLQW-UHFFFAOYSA-N
XLogP1.94
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3-methylbut-2-enyl)quinolin-2-one
CID 57006693
3-methyl-7-(3-methylbut-2-enyl)benzo[a]phenazin-5-one
CID 57333430
2-ethyl-4-(3-methyl-2-oxoquinoxalin-1-yl)but-2-enoic acid
CID 77101730
3-amino-1-phenylquinoxalin-2-one
CID 19045865
methyl 2-ethyl-4-(3-methyl-2-oxoquinoxalin-1-yl)but-2-enoate
CID 77101731
3-(iodomethyl)-1-prop-2-enylquinoxalin-2-one
CID 163564919
3-phenyl-1-prop-2-enylquinoxalin-2-one
CID 67231173
2-(3-methyl-2-oxoquinoxalin-1-yl)ethanethioamide
CID 62374548
1-ethyl-3-methylquinoxalin-2-one
CID 139075519
3-(3-hydroxypropyl)-1-prop-2-enylquinoxalin-2-one
CID 54477550
1-(3-methylbut-2-enyl)-2-oxoquinoline-4-carboxylic acid
CID 62041152
1-(1-ethylbenzimidazol-2-yl)ethanone
CID 5149999

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3-methylbut-2-enyl)quinoxalin-2-one?
The IUPAC name of 3-amino-1-(3-methylbut-2-enyl)quinoxalin-2-one (CID 139679717) is 3-amino-1-(3-methylbut-2-enyl)quinoxalin-2-one.
What is the SMILES notation for 3-amino-1-(3-methylbut-2-enyl)quinoxalin-2-one?
The canonical SMILES for 3-amino-1-(3-methylbut-2-enyl)quinoxalin-2-one is CC(C)=CCn1c(=O)c(N)nc2ccccc21.
What is the InChIKey of 3-amino-1-(3-methylbut-2-enyl)quinoxalin-2-one?
The InChIKey is JJVZRYPIWIVLQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-9(2)7-8-16-11-6-4-3-5-10(11)15-12(14)13(16)17/h3-7H,8H2,1-2H3,(H2,14,15).
What are the key properties of 3-amino-1-(3-methylbut-2-enyl)quinoxalin-2-one?
3-amino-1-(3-methylbut-2-enyl)quinoxalin-2-one has a molecular weight of 229.28 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3-methylbut-2-enyl)quinoxalin-2-one is sourced from PubChem (CID 139679717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).