6-amino-1-propan-2-yl-3,4-dihydroquinoxalin-2-one

C11H15N3O — CID 28693556

IUPAC6-amino-1-propan-2-yl-3,4-dihydroquinoxalin-2-one
SMILESCC(C)N1C(=O)CNc2cc(N)ccc21
InChIInChI=1S/C11H15N3O/c1-7(2)14-10-4-3-8(12)5-9(10)13-6-11(14)15/h3-5,7,13H,6,12H2,1-2H3
InChIKeyIGHZKEFVEZYEGJ-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.44
Rot. Bonds1

About 6-amino-1-propan-2-yl-3,4-dihydroquinoxalin-2-one

6-amino-1-propan-2-yl-3,4-dihydroquinoxalin-2-one (PubChem CID 28693556) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 6-amino-1-propan-2-yl-3,4-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name6-amino-1-propan-2-yl-3,4-dihydroquinoxalin-2-one
PubChem CID28693556
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name6-amino-1-propan-2-yl-3,4-dihydroquinoxalin-2-one
SMILESCC(C)N1C(=O)CNc2cc(N)ccc21
InChIInChI=1S/C11H15N3O/c1-7(2)14-10-4-3-8(12)5-9(10)13-6-11(14)15/h3-5,7,13H,6,12H2,1-2H3
InChIKeyIGHZKEFVEZYEGJ-UHFFFAOYSA-N
XLogP1.44
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.44
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

6-methyl-1-propan-2-yl-3,4-dihydroquinoxalin-2-one
CID 83509588
6-amino-1-methyl-3,4-dihydroquinoxalin-2-one
CID 28693613
6-chloro-7-cyclopropyl-1-propan-2-yl-3,4-dihydroquinoxalin-2-one
CID 155027483
7-chloro-5-methyl-1-propan-2-yl-3,4-dihydroquinoxalin-2-one
CID 84629283
8-fluoro-1-propan-2-yl-3,4-dihydroquinoxalin-2-one
CID 84621075
7-chloro-8-methyl-1-propan-2-yl-3,4-dihydroquinoxalin-2-one
CID 84629266
deuterium monohydride;2-methylidene-3-propan-2-ylimidazolidin-4-one
CID 159139539
5-amino-1-propan-2-yl-3,4-dihydroquinazolin-2-one
CID 57415940
3-[1-(2-aminophenyl)ethyl]imidazolidine-2,4-dione
CID 107841916
1-(2-propan-2-ylphenyl)piperazine-2,5-dione
CID 64955597
5-amino-1-(4-aminobutan-2-yl)-3H-indol-2-one
CID 117040206
(2E)-7-amino-2-benzylidene-4-propan-2-yl-1,4-benzoxazin-3-one
CID 28862974

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-propan-2-yl-3,4-dihydroquinoxalin-2-one?
The IUPAC name of 6-amino-1-propan-2-yl-3,4-dihydroquinoxalin-2-one (CID 28693556) is 6-amino-1-propan-2-yl-3,4-dihydroquinoxalin-2-one.
What is the SMILES notation for 6-amino-1-propan-2-yl-3,4-dihydroquinoxalin-2-one?
The canonical SMILES for 6-amino-1-propan-2-yl-3,4-dihydroquinoxalin-2-one is CC(C)N1C(=O)CNc2cc(N)ccc21.
What is the InChIKey of 6-amino-1-propan-2-yl-3,4-dihydroquinoxalin-2-one?
The InChIKey is IGHZKEFVEZYEGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-7(2)14-10-4-3-8(12)5-9(10)13-6-11(14)15/h3-5,7,13H,6,12H2,1-2H3.
What are the key properties of 6-amino-1-propan-2-yl-3,4-dihydroquinoxalin-2-one?
6-amino-1-propan-2-yl-3,4-dihydroquinoxalin-2-one has a molecular weight of 205.26 g/mol, XLogP of 1.44, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-propan-2-yl-3,4-dihydroquinoxalin-2-one is sourced from PubChem (CID 28693556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).