5-(aminomethyl)-1,3-dimethyl-3,4-dihydroquinoxalin-2-one

C11H15N3O — CID 115095793

IUPAC5-(aminomethyl)-1,3-dimethyl-3,4-dihydroquinoxalin-2-one
SMILESCC1Nc2c(CN)cccc2N(C)C1=O
InChIInChI=1S/C11H15N3O/c1-7-11(15)14(2)9-5-3-4-8(6-12)10(9)13-7/h3-5,7,13H,6,12H2,1-2H3
InChIKeyHVGGJORHDSRPHT-UHFFFAOYSA-N
MW205.26 g/mol
LogP0.92
Rot. Bonds1

About 5-(aminomethyl)-1,3-dimethyl-3,4-dihydroquinoxalin-2-one

5-(aminomethyl)-1,3-dimethyl-3,4-dihydroquinoxalin-2-one (PubChem CID 115095793) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 5-(aminomethyl)-1,3-dimethyl-3,4-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name5-(aminomethyl)-1,3-dimethyl-3,4-dihydroquinoxalin-2-one
PubChem CID115095793
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name5-(aminomethyl)-1,3-dimethyl-3,4-dihydroquinoxalin-2-one
SMILESCC1Nc2c(CN)cccc2N(C)C1=O
InChIInChI=1S/C11H15N3O/c1-7-11(15)14(2)9-5-3-4-8(6-12)10(9)13-7/h3-5,7,13H,6,12H2,1-2H3
InChIKeyHVGGJORHDSRPHT-UHFFFAOYSA-N
XLogP0.92
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 ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-(aminomethyl)-1,3-dimethyl-3,4-dihydroquinoxalin-2-one
CID 115096299
8-(aminomethyl)-4-ethyl-3,3-dimethyl-1H-quinoxalin-2-one
CID 115096627
6-chloro-1,3-dimethyl-3,4-dihydroquinoxalin-2-one
CID 83509943
(2-methyl-2,3-dihydro-1H-indol-7-yl)methanamine
CID 117203931
8-(aminomethyl)-4-propan-2-yl-1,3-dihydroquinoxalin-2-one
CID 115096601
3-[2-(aminomethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one
CID 105458812
1-[2-(aminomethyl)phenyl]-3-methylpyrrolidine-2,5-dione
CID 61038416
1,3-dimethyl-4,5-dihydro-3H-1,4-benzodiazepin-2-one
CID 59848827
3-(2-aminoethyl)-1-methyl-3H-indol-2-one
CID 3486621
3-amino-1,5-dimethyl-1,5-benzodiazepine-2,4-dione
CID 22312383
(3-methyl-3,4-dihydro-2H-1,4-benzothiazin-5-yl)methanamine
CID 115095816
(5R)-3-(2-aminophenyl)-5-methylimidazolidine-2,4-dione
CID 51983917

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-1,3-dimethyl-3,4-dihydroquinoxalin-2-one?
The IUPAC name of 5-(aminomethyl)-1,3-dimethyl-3,4-dihydroquinoxalin-2-one (CID 115095793) is 5-(aminomethyl)-1,3-dimethyl-3,4-dihydroquinoxalin-2-one.
What is the SMILES notation for 5-(aminomethyl)-1,3-dimethyl-3,4-dihydroquinoxalin-2-one?
The canonical SMILES for 5-(aminomethyl)-1,3-dimethyl-3,4-dihydroquinoxalin-2-one is CC1Nc2c(CN)cccc2N(C)C1=O.
What is the InChIKey of 5-(aminomethyl)-1,3-dimethyl-3,4-dihydroquinoxalin-2-one?
The InChIKey is HVGGJORHDSRPHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-7-11(15)14(2)9-5-3-4-8(6-12)10(9)13-7/h3-5,7,13H,6,12H2,1-2H3.
What are the key properties of 5-(aminomethyl)-1,3-dimethyl-3,4-dihydroquinoxalin-2-one?
5-(aminomethyl)-1,3-dimethyl-3,4-dihydroquinoxalin-2-one has a molecular weight of 205.26 g/mol, XLogP of 0.92, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-1,3-dimethyl-3,4-dihydroquinoxalin-2-one is sourced from PubChem (CID 115095793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).