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

C11H15N3O — CID 115096604

IUPAC8-amino-4-propan-2-yl-1,3-dihydroquinoxalin-2-one
SMILESCC(C)N1CC(=O)Nc2c(N)cccc21
InChIInChI=1S/C11H15N3O/c1-7(2)14-6-10(15)13-11-8(12)4-3-5-9(11)14/h3-5,7H,6,12H2,1-2H3,(H,13,15)
InChIKeyONRWEFFPPGLDRA-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.44
Rot. Bonds1

About 8-amino-4-propan-2-yl-1,3-dihydroquinoxalin-2-one

8-amino-4-propan-2-yl-1,3-dihydroquinoxalin-2-one (PubChem CID 115096604) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 8-amino-4-propan-2-yl-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name8-amino-4-propan-2-yl-1,3-dihydroquinoxalin-2-one
PubChem CID115096604
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name8-amino-4-propan-2-yl-1,3-dihydroquinoxalin-2-one
SMILESCC(C)N1CC(=O)Nc2c(N)cccc21
InChIInChI=1S/C11H15N3O/c1-7(2)14-6-10(15)13-11-8(12)4-3-5-9(11)14/h3-5,7H,6,12H2,1-2H3,(H,13,15)
InChIKeyONRWEFFPPGLDRA-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

8-(aminomethyl)-4-propan-2-yl-1,3-dihydroquinoxalin-2-one
CID 115096601
8-amino-4-methyl-1,3-dihydroquinoxalin-2-one
CID 68704055
1-propan-2-yl-3,4-dihydro-2H-quinoxalin-5-amine
CID 115095772
1-(2-aminophenyl)imidazolidine-2,4-dione
CID 83818017
6-methoxy-1-propan-2-yl-3,5-dihydro-2H-1,5-benzodiazepin-4-one
CID 113393211
5-bromo-4-propan-2-yl-1,3-dihydroquinoxalin-2-one
CID 83844763
5-amino-1-propan-2-yl-3,4-dihydroquinazolin-2-one
CID 57415940
1-(2-methylpropyl)-3-oxo-2,4-dihydroquinoxaline-5-carbonitrile
CID 104720285
4-(1-phenylethyl)-1,3-dihydroquinoxalin-2-one
CID 117006573
2-(3-oxo-2,4-dihydroquinoxalin-1-yl)propanehydrazide
CID 63571192
ethane;1-propan-2-yl-2,4-dihydroquinolin-3-one
CID 142243326
6-fluoro-7-iodo-4-propan-2-yl-1,3-dihydroquinoxalin-2-one
CID 79290995

Frequently Asked Questions

What is the IUPAC name of 8-amino-4-propan-2-yl-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 8-amino-4-propan-2-yl-1,3-dihydroquinoxalin-2-one (CID 115096604) is 8-amino-4-propan-2-yl-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 8-amino-4-propan-2-yl-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 8-amino-4-propan-2-yl-1,3-dihydroquinoxalin-2-one is CC(C)N1CC(=O)Nc2c(N)cccc21.
What is the InChIKey of 8-amino-4-propan-2-yl-1,3-dihydroquinoxalin-2-one?
The InChIKey is ONRWEFFPPGLDRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-7(2)14-6-10(15)13-11-8(12)4-3-5-9(11)14/h3-5,7H,6,12H2,1-2H3,(H,13,15).
What are the key properties of 8-amino-4-propan-2-yl-1,3-dihydroquinoxalin-2-one?
8-amino-4-propan-2-yl-1,3-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 8-amino-4-propan-2-yl-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 115096604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).