8-(aminomethyl)-1-ethyl-3,4-dihydroquinoxalin-2-one

C11H15N3O — CID 115095930

IUPAC8-(aminomethyl)-1-ethyl-3,4-dihydroquinoxalin-2-one
SMILESCCN1C(=O)CNc2cccc(CN)c21
InChIInChI=1S/C11H15N3O/c1-2-14-10(15)7-13-9-5-3-4-8(6-12)11(9)14/h3-5,13H,2,6-7,12H2,1H3
InChIKeyGTLCRQQBZWGUOQ-UHFFFAOYSA-N
MW205.26 g/mol
LogP0.92
Rot. Bonds2

About 8-(aminomethyl)-1-ethyl-3,4-dihydroquinoxalin-2-one

8-(aminomethyl)-1-ethyl-3,4-dihydroquinoxalin-2-one (PubChem CID 115095930) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 8-(aminomethyl)-1-ethyl-3,4-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name8-(aminomethyl)-1-ethyl-3,4-dihydroquinoxalin-2-one
PubChem CID115095930
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name8-(aminomethyl)-1-ethyl-3,4-dihydroquinoxalin-2-one
SMILESCCN1C(=O)CNc2cccc(CN)c21
InChIInChI=1S/C11H15N3O/c1-2-14-10(15)7-13-9-5-3-4-8(6-12)11(9)14/h3-5,13H,2,6-7,12H2,1H3
InChIKeyGTLCRQQBZWGUOQ-UHFFFAOYSA-N
XLogP0.92
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
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

1-ethyl-8-propan-2-yl-3,4-dihydroquinoxalin-2-one
CID 84623041
(4-ethyl-3-methyl-2,3-dihydro-1H-quinoxalin-5-yl)methanamine
CID 115096491
8-(hydroxymethyl)-1-methyl-3,4-dihydroquinoxalin-2-one
CID 115095925
8-chloro-1-ethyl-6-methyl-3,4-dihydroquinoxalin-2-one
CID 84624735
5-bromo-1-ethyl-3,4-dihydroquinoxalin-2-one
CID 84635526
1-(naphthalen-1-ylmethyl)-3,4-dihydroquinoxalin-2-one
CID 82156899
(1-ethyl-2-methyl-2,3-dihydroindol-7-yl)methanamine
CID 117203939
1-[2-(aminomethyl)-6-methoxyphenyl]pyrrolidine-2,5-dione
CID 107467220
8-(aminomethyl)-3,4-dihydro-1H-quinazolin-2-one
CID 143550005
1-[2-(aminomethyl)-6-methylphenyl]-1,4-diazepan-5-one
CID 107105692
8-(aminomethyl)-3,3-dimethyl-1-propan-2-yl-4H-quinoxalin-2-one
CID 115096051
[2-(2-ethylpyrrolidin-1-yl)-3-methylphenyl]methanamine
CID 107105560

Frequently Asked Questions

What is the IUPAC name of 8-(aminomethyl)-1-ethyl-3,4-dihydroquinoxalin-2-one?
The IUPAC name of 8-(aminomethyl)-1-ethyl-3,4-dihydroquinoxalin-2-one (CID 115095930) is 8-(aminomethyl)-1-ethyl-3,4-dihydroquinoxalin-2-one.
What is the SMILES notation for 8-(aminomethyl)-1-ethyl-3,4-dihydroquinoxalin-2-one?
The canonical SMILES for 8-(aminomethyl)-1-ethyl-3,4-dihydroquinoxalin-2-one is CCN1C(=O)CNc2cccc(CN)c21.
What is the InChIKey of 8-(aminomethyl)-1-ethyl-3,4-dihydroquinoxalin-2-one?
The InChIKey is GTLCRQQBZWGUOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-2-14-10(15)7-13-9-5-3-4-8(6-12)11(9)14/h3-5,13H,2,6-7,12H2,1H3.
What are the key properties of 8-(aminomethyl)-1-ethyl-3,4-dihydroquinoxalin-2-one?
8-(aminomethyl)-1-ethyl-3,4-dihydroquinoxalin-2-one has a molecular weight of 205.26 g/mol, XLogP of 0.92, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(aminomethyl)-1-ethyl-3,4-dihydroquinoxalin-2-one is sourced from PubChem (CID 115095930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).