3-(2-aminoethyl)-4,5,7-trimethyl-1,3-dihydroquinoxalin-2-one

C13H19N3O — CID 84627553

IUPAC3-(2-aminoethyl)-4,5,7-trimethyl-1,3-dihydroquinoxalin-2-one
SMILESCc1cc(C)c2c(c1)NC(=O)C(CCN)N2C
InChIInChI=1S/C13H19N3O/c1-8-6-9(2)12-10(7-8)15-13(17)11(4-5-14)16(12)3/h6-7,11H,4-5,14H2,1-3H3,(H,15,17)
InChIKeyAAULKDDZQGMDJO-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.41
Rot. Bonds2

About 3-(2-aminoethyl)-4,5,7-trimethyl-1,3-dihydroquinoxalin-2-one

3-(2-aminoethyl)-4,5,7-trimethyl-1,3-dihydroquinoxalin-2-one (PubChem CID 84627553) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 3-(2-aminoethyl)-4,5,7-trimethyl-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name3-(2-aminoethyl)-4,5,7-trimethyl-1,3-dihydroquinoxalin-2-one
PubChem CID84627553
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name3-(2-aminoethyl)-4,5,7-trimethyl-1,3-dihydroquinoxalin-2-one
SMILESCc1cc(C)c2c(c1)NC(=O)C(CCN)N2C
InChIInChI=1S/C13H19N3O/c1-8-6-9(2)12-10(7-8)15-13(17)11(4-5-14)16(12)3/h6-7,11H,4-5,14H2,1-3H3,(H,15,17)
InChIKeyAAULKDDZQGMDJO-UHFFFAOYSA-N
XLogP1.41
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-aminoethyl)-5-bromo-4-methyl-1,3-dihydroquinoxalin-2-one
CID 84643367
3-(aminomethyl)-4,5-dimethyl-1,3-dihydroquinoxalin-2-one
CID 84620565
3-amino-4,6-dimethyl-1,3-dihydroindol-2-one
CID 46736064
3-(aminomethyl)-6-chloro-4-methyl-1,3-dihydroquinoxalin-2-one
CID 84624971
6-(2-aminoethyl)-3-(2,4,6-trimethylphenyl)-1,3-oxazinan-2-one
CID 117011006
3-(aminomethyl)-6,8-difluoro-4-methyl-1,3-dihydroquinoxalin-2-one
CID 84625224
3,4,7-trimethyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one
CID 79306815
2-(2-aminoethyl)-7-methyl-1,1-dioxo-4H-1λ6,4-benzothiazin-3-one
CID 84635223
3-(6,8-dimethyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)propanoic acid
CID 84638868
3-butan-2-yl-4,6-dimethyl-1,3-dihydroindol-2-one
CID 129129581
2-(1,7-dimethyl-3-oxo-2,4-dihydroquinoxalin-2-yl)acetic acid
CID 84627682
2-(aminomethyl)-6,7-dimethyl-4H-1,4-benzothiazin-3-one
CID 84624163

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-4,5,7-trimethyl-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 3-(2-aminoethyl)-4,5,7-trimethyl-1,3-dihydroquinoxalin-2-one (CID 84627553) is 3-(2-aminoethyl)-4,5,7-trimethyl-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 3-(2-aminoethyl)-4,5,7-trimethyl-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 3-(2-aminoethyl)-4,5,7-trimethyl-1,3-dihydroquinoxalin-2-one is Cc1cc(C)c2c(c1)NC(=O)C(CCN)N2C.
What is the InChIKey of 3-(2-aminoethyl)-4,5,7-trimethyl-1,3-dihydroquinoxalin-2-one?
The InChIKey is AAULKDDZQGMDJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-8-6-9(2)12-10(7-8)15-13(17)11(4-5-14)16(12)3/h6-7,11H,4-5,14H2,1-3H3,(H,15,17).
What are the key properties of 3-(2-aminoethyl)-4,5,7-trimethyl-1,3-dihydroquinoxalin-2-one?
3-(2-aminoethyl)-4,5,7-trimethyl-1,3-dihydroquinoxalin-2-one has a molecular weight of 233.31 g/mol, XLogP of 1.41, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-4,5,7-trimethyl-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 84627553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).