1,6-diethyl-4-methyl-3H-quinoxalin-2-one

C13H18N2O — CID 155066650

IUPAC1,6-diethyl-4-methyl-3H-quinoxalin-2-one
SMILESCCc1ccc2c(c1)N(C)CC(=O)N2CC
InChIInChI=1S/C13H18N2O/c1-4-10-6-7-11-12(8-10)14(3)9-13(16)15(11)5-2/h6-8H,4-5,9H2,1-3H3
InChIKeyIHMARFVOFFSJMW-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.05
Rot. Bonds2

About 1,6-diethyl-4-methyl-3H-quinoxalin-2-one

1,6-diethyl-4-methyl-3H-quinoxalin-2-one (PubChem CID 155066650) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 1,6-diethyl-4-methyl-3H-quinoxalin-2-one.

Molecular Properties

Compound Name1,6-diethyl-4-methyl-3H-quinoxalin-2-one
PubChem CID155066650
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name1,6-diethyl-4-methyl-3H-quinoxalin-2-one
SMILESCCc1ccc2c(c1)N(C)CC(=O)N2CC
InChIInChI=1S/C13H18N2O/c1-4-10-6-7-11-12(8-10)14(3)9-13(16)15(11)5-2/h6-8H,4-5,9H2,1-3H3
InChIKeyIHMARFVOFFSJMW-UHFFFAOYSA-N
XLogP2.05
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,6-diethyl-4-methyl-3H-quinoxalin-2-one?
The IUPAC name of 1,6-diethyl-4-methyl-3H-quinoxalin-2-one (CID 155066650) is 1,6-diethyl-4-methyl-3H-quinoxalin-2-one.
What is the SMILES notation for 1,6-diethyl-4-methyl-3H-quinoxalin-2-one?
The canonical SMILES for 1,6-diethyl-4-methyl-3H-quinoxalin-2-one is CCc1ccc2c(c1)N(C)CC(=O)N2CC.
What is the InChIKey of 1,6-diethyl-4-methyl-3H-quinoxalin-2-one?
The InChIKey is IHMARFVOFFSJMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-4-10-6-7-11-12(8-10)14(3)9-13(16)15(11)5-2/h6-8H,4-5,9H2,1-3H3.
What are the key properties of 1,6-diethyl-4-methyl-3H-quinoxalin-2-one?
1,6-diethyl-4-methyl-3H-quinoxalin-2-one has a molecular weight of 218.30 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-diethyl-4-methyl-3H-quinoxalin-2-one is sourced from PubChem (CID 155066650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).