6-amino-1-methyl-3,4-dihydroquinoxalin-2-one

C9H11N3O — CID 28693613

IUPAC6-amino-1-methyl-3,4-dihydroquinoxalin-2-one
SMILESCN1C(=O)CNc2cc(N)ccc21
InChIInChI=1S/C9H11N3O/c1-12-8-3-2-6(10)4-7(8)11-5-9(12)13/h2-4,11H,5,10H2,1H3
InChIKeySYSWWERZKFTJJQ-UHFFFAOYSA-N
MW177.21 g/mol
LogP0.66
Rot. Bonds

About 6-amino-1-methyl-3,4-dihydroquinoxalin-2-one

6-amino-1-methyl-3,4-dihydroquinoxalin-2-one (PubChem CID 28693613) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is 6-amino-1-methyl-3,4-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name6-amino-1-methyl-3,4-dihydroquinoxalin-2-one
PubChem CID28693613
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC Name6-amino-1-methyl-3,4-dihydroquinoxalin-2-one
SMILESCN1C(=O)CNc2cc(N)ccc21
InChIInChI=1S/C9H11N3O/c1-12-8-3-2-6(10)4-7(8)11-5-9(12)13/h2-4,11H,5,10H2,1H3
InChIKeySYSWWERZKFTJJQ-UHFFFAOYSA-N
XLogP0.66
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-amino-1-propan-2-yl-3,4-dihydroquinoxalin-2-one
CID 28693556
7-chloro-1-methyl-3,4-dihydroquinoxalin-2-one
CID 84619430
7-bromo-6-fluoro-1-methyl-3,4-dihydroquinoxalin-2-one
CID 162753594
methyl 4-methyl-3-oxo-1,2-dihydroquinoxaline-6-carboxylate
CID 91671836
1-methyl-7-(trifluoromethyl)-4,5-dihydro-3H-1,5-benzodiazepin-2-one
CID 84631098
3,5-dimethyl-1,3,5-triazepane-2,4,6-trione
CID 155106929
6-amino-1-methyl-3,4-dihydroquinolin-2-one;6-methyl-4H-1,4-benzoxazin-3-one
CID 143748256
7-chloro-6-isoquinolin-4-yl-1-methyl-3,4-dihydroquinoxalin-2-one
CID 67198720
7-amino-4-(2-methylsulfonylethyl)-1,4-benzoxazin-3-one
CID 62988238
1-(3-aminophenyl)piperazine-2,5-dione
CID 82512416
1-(3-aminophenyl)-3,4-dihydroquinoxalin-2-one
CID 117030560
5-cyclopenta-2,4-dien-1-ylidene-7-iodo-1-methyl-3,4-dihydro-1,4-benzodiazepin-2-one
CID 3042981

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-methyl-3,4-dihydroquinoxalin-2-one?
The IUPAC name of 6-amino-1-methyl-3,4-dihydroquinoxalin-2-one (CID 28693613) is 6-amino-1-methyl-3,4-dihydroquinoxalin-2-one.
What is the SMILES notation for 6-amino-1-methyl-3,4-dihydroquinoxalin-2-one?
The canonical SMILES for 6-amino-1-methyl-3,4-dihydroquinoxalin-2-one is CN1C(=O)CNc2cc(N)ccc21.
What is the InChIKey of 6-amino-1-methyl-3,4-dihydroquinoxalin-2-one?
The InChIKey is SYSWWERZKFTJJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O/c1-12-8-3-2-6(10)4-7(8)11-5-9(12)13/h2-4,11H,5,10H2,1H3.
What are the key properties of 6-amino-1-methyl-3,4-dihydroquinoxalin-2-one?
6-amino-1-methyl-3,4-dihydroquinoxalin-2-one has a molecular weight of 177.21 g/mol, XLogP of 0.66, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-methyl-3,4-dihydroquinoxalin-2-one is sourced from PubChem (CID 28693613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).