3-(aminomethyl)-8-tert-butyl-4-methyl-1,3-dihydroquinoxalin-2-one

C14H21N3O — CID 84632906

IUPAC3-(aminomethyl)-8-tert-butyl-4-methyl-1,3-dihydroquinoxalin-2-one
SMILESCN1c2cccc(C(C)(C)C)c2NC(=O)C1CN
InChIInChI=1S/C14H21N3O/c1-14(2,3)9-6-5-7-10-12(9)16-13(18)11(8-15)17(10)4/h5-7,11H,8,15H2,1-4H3,(H,16,18)
InChIKeyMYEYIDNXBBISIA-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.70
Rot. Bonds1

About 3-(aminomethyl)-8-tert-butyl-4-methyl-1,3-dihydroquinoxalin-2-one

3-(aminomethyl)-8-tert-butyl-4-methyl-1,3-dihydroquinoxalin-2-one (PubChem CID 84632906) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 3-(aminomethyl)-8-tert-butyl-4-methyl-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name3-(aminomethyl)-8-tert-butyl-4-methyl-1,3-dihydroquinoxalin-2-one
PubChem CID84632906
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name3-(aminomethyl)-8-tert-butyl-4-methyl-1,3-dihydroquinoxalin-2-one
SMILESCN1c2cccc(C(C)(C)C)c2NC(=O)C1CN
InChIInChI=1S/C14H21N3O/c1-14(2,3)9-6-5-7-10-12(9)16-13(18)11(8-15)17(10)4/h5-7,11H,8,15H2,1-4H3,(H,16,18)
InChIKeyMYEYIDNXBBISIA-UHFFFAOYSA-N
XLogP1.70
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-5-tert-butyl-4H-1,4-benzothiazin-3-one
CID 84633866
3,4-dimethyl-8-(trifluoromethyl)-1,3-dihydroquinoxalin-2-one
CID 115095537
3-(aminomethyl)-4,5-dimethyl-1,3-dihydroquinoxalin-2-one
CID 84620565
3-(aminomethyl)-6-chloro-4-methyl-1,3-dihydroquinoxalin-2-one
CID 84624971
8-tert-butyl-3-ethyl-4-methyl-2,3-dihydro-1H-quinoxaline
CID 84627352
5-tert-butyl-3-methyl-3,4-dihydro-1H-quinoxalin-2-one
CID 84623056
3-(2-aminoethyl)-4-tert-butyl-1,3-benzothiazol-2-one
CID 84633867
2-(2-aminoethyl)-8-tert-butyl-4-methyl-1,4-benzoxazin-3-one
CID 82233178
3-(2-aminoethyl)-5-bromo-4-methyl-1,3-dihydroquinoxalin-2-one
CID 84643367
3,4-ditert-butyl-1-methyl-3H-indol-2-one
CID 59210877
1-(2-tert-butylphenyl)-6-ethyl-3-methylpiperazine-2,5-dione
CID 64972240
[1-(2-tert-butylphenyl)-5,5-dimethylpyrrolidin-3-yl]methanamine
CID 117018770

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-8-tert-butyl-4-methyl-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 3-(aminomethyl)-8-tert-butyl-4-methyl-1,3-dihydroquinoxalin-2-one (CID 84632906) is 3-(aminomethyl)-8-tert-butyl-4-methyl-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 3-(aminomethyl)-8-tert-butyl-4-methyl-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 3-(aminomethyl)-8-tert-butyl-4-methyl-1,3-dihydroquinoxalin-2-one is CN1c2cccc(C(C)(C)C)c2NC(=O)C1CN.
What is the InChIKey of 3-(aminomethyl)-8-tert-butyl-4-methyl-1,3-dihydroquinoxalin-2-one?
The InChIKey is MYEYIDNXBBISIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-14(2,3)9-6-5-7-10-12(9)16-13(18)11(8-15)17(10)4/h5-7,11H,8,15H2,1-4H3,(H,16,18).
What are the key properties of 3-(aminomethyl)-8-tert-butyl-4-methyl-1,3-dihydroquinoxalin-2-one?
3-(aminomethyl)-8-tert-butyl-4-methyl-1,3-dihydroquinoxalin-2-one has a molecular weight of 247.34 g/mol, XLogP of 1.70, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-8-tert-butyl-4-methyl-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 84632906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).