1-ethyl-3,6,7-trimethyl-3,4-dihydroquinoxalin-2-one

C13H18N2O — CID 82157287

IUPAC1-ethyl-3,6,7-trimethyl-3,4-dihydroquinoxalin-2-one
SMILESCCN1C(=O)C(C)Nc2cc(C)c(C)cc21
InChIInChI=1S/C13H18N2O/c1-5-15-12-7-9(3)8(2)6-11(12)14-10(4)13(15)16/h6-7,10,14H,5H2,1-4H3
InChIKeyVKWSSGZZOARERG-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.47
Rot. Bonds1

About 1-ethyl-3,6,7-trimethyl-3,4-dihydroquinoxalin-2-one

1-ethyl-3,6,7-trimethyl-3,4-dihydroquinoxalin-2-one (PubChem CID 82157287) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-ethyl-3,6,7-trimethyl-3,4-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name1-ethyl-3,6,7-trimethyl-3,4-dihydroquinoxalin-2-one
PubChem CID82157287
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name1-ethyl-3,6,7-trimethyl-3,4-dihydroquinoxalin-2-one
SMILESCCN1C(=O)C(C)Nc2cc(C)c(C)cc21
InChIInChI=1S/C13H18N2O/c1-5-15-12-7-9(3)8(2)6-11(12)14-10(4)13(15)16/h6-7,10,14H,5H2,1-4H3
InChIKeyVKWSSGZZOARERG-UHFFFAOYSA-N
XLogP2.47
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-butyl-3,6,7-trimethyl-3,4-dihydroquinoxalin-2-one
CID 82157281
3,6,7-trimethyl-1-(2-methylpropyl)-3,4-dihydroquinoxalin-2-one
CID 82157291
2-(3,6,7-trimethyl-2-oxo-3,4-dihydroquinoxalin-1-yl)acetic acid
CID 82157268
1-[2-(dimethylamino)ethyl]-3,6,7-trimethyl-3,4-dihydroquinoxalin-2-one
CID 82157305
2-methyl-2-(3,6,7-trimethyl-2-oxo-3,4-dihydroquinoxalin-1-yl)propanoic acid
CID 82157309
3-ethyl-6,7-dimethyl-1-(2-methylpropyl)-3,4-dihydroquinoxalin-2-one
CID 82157237
6,7-difluoro-3-methyl-1-nonyl-3,4-dihydroquinoxalin-2-one
CID 82157533
3-ethyl-6,7-dimethyl-1-prop-2-enyl-3,4-dihydroquinoxalin-2-one
CID 82157226
3-ethyl-1-hexyl-6,7-dimethyl-3,4-dihydroquinoxalin-2-one
CID 82157230
3-(6,7-dimethoxy-3-methyl-2-oxo-3,4-dihydroquinoxalin-1-yl)propanoic acid
CID 82157446
1-hexyl-6,7-dimethyl-3-propan-2-yl-3,4-dihydroquinoxalin-2-one
CID 82157206
6,7-difluoro-1-(3-hydroxypropyl)-3-methyl-3,4-dihydroquinoxalin-2-one
CID 82157531

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3,6,7-trimethyl-3,4-dihydroquinoxalin-2-one?
The IUPAC name of 1-ethyl-3,6,7-trimethyl-3,4-dihydroquinoxalin-2-one (CID 82157287) is 1-ethyl-3,6,7-trimethyl-3,4-dihydroquinoxalin-2-one.
What is the SMILES notation for 1-ethyl-3,6,7-trimethyl-3,4-dihydroquinoxalin-2-one?
The canonical SMILES for 1-ethyl-3,6,7-trimethyl-3,4-dihydroquinoxalin-2-one is CCN1C(=O)C(C)Nc2cc(C)c(C)cc21.
What is the InChIKey of 1-ethyl-3,6,7-trimethyl-3,4-dihydroquinoxalin-2-one?
The InChIKey is VKWSSGZZOARERG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-5-15-12-7-9(3)8(2)6-11(12)14-10(4)13(15)16/h6-7,10,14H,5H2,1-4H3.
What are the key properties of 1-ethyl-3,6,7-trimethyl-3,4-dihydroquinoxalin-2-one?
1-ethyl-3,6,7-trimethyl-3,4-dihydroquinoxalin-2-one has a molecular weight of 218.30 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3,6,7-trimethyl-3,4-dihydroquinoxalin-2-one is sourced from PubChem (CID 82157287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).