1,3,3,7,8-pentamethyl-4H-quinoxalin-2-one

C13H18N2O — CID 84623091

IUPAC1,3,3,7,8-pentamethyl-4H-quinoxalin-2-one
SMILESCc1ccc2c(c1C)N(C)C(=O)C(C)(C)N2
InChIInChI=1S/C13H18N2O/c1-8-6-7-10-11(9(8)2)15(5)12(16)13(3,4)14-10/h6-7,14H,1-5H3
InChIKeyPHGZFHYKPOFDSR-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.47
Rot. Bonds

About 1,3,3,7,8-pentamethyl-4H-quinoxalin-2-one

1,3,3,7,8-pentamethyl-4H-quinoxalin-2-one (PubChem CID 84623091) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 1,3,3,7,8-pentamethyl-4H-quinoxalin-2-one.

Molecular Properties

Compound Name1,3,3,7,8-pentamethyl-4H-quinoxalin-2-one
PubChem CID84623091
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name1,3,3,7,8-pentamethyl-4H-quinoxalin-2-one
SMILESCc1ccc2c(c1C)N(C)C(=O)C(C)(C)N2
InChIInChI=1S/C13H18N2O/c1-8-6-7-10-11(9(8)2)15(5)12(16)13(3,4)14-10/h6-7,14H,1-5H3
InChIKeyPHGZFHYKPOFDSR-UHFFFAOYSA-N
XLogP2.47
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
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

1,3,3-trimethyl-8-propan-2-yl-4H-quinoxalin-2-one
CID 84627207
7-(hydroxymethyl)-1,3,3-trimethyl-4H-quinoxalin-2-one
CID 115096207
7-bromo-1,3,3-trimethyl-8-(phenoxymethyl)-4H-quinoxalin-2-one;ethane
CID 123555111
11-(3-aminopropyl)-1,2-dimethyl-5H-benzo[b][1,4]benzodiazepin-6-one
CID 18334599
[4-[5-[(5-fluoro-2-methylphenoxy)methyl]-2,2,4-trimethyl-3-oxo-1H-quinoxalin-6-yl]-3-methoxyphenyl] chloromethanesulfonate
CID 58337202
7-[4-(3,3-dimethyl-2-oxobutoxy)-2-methoxyphenyl]-8-[(5-fluoro-2-methylphenoxy)methyl]-1,3,3-trimethyl-4H-quinoxalin-2-one
CID 126639066
1-(5-fluoro-2-methylphenyl)-3,3,6-trimethylpiperazine-2,5-dione
CID 64958983
5-(2-aminoethyl)-6,7-dimethyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 84627563
(3S)-4-[4-[5-[(5-fluoro-2-methylphenoxy)methyl]-2,2,4-trimethyl-3-oxo-1H-quinoxalin-6-yl]-3-methoxyphenoxy]-3-hydroxybutanenitrile
CID 126639132
[6-(4-hydroxy-7-methoxycyclohepta-1,3,6-trien-1-yl)-2,2,4-trimethyl-3-oxo-1H-quinoxalin-5-yl]methyl 5-methylthiophene-2-carboxylate
CID 143956242
3,3-dimethyl-1-prop-2-ynyl-4H-quinoxalin-2-one
CID 71692507
8-amino-3,3-dimethyl-1-propan-2-yl-4H-quinoxalin-2-one
CID 115096054

Frequently Asked Questions

What is the IUPAC name of 1,3,3,7,8-pentamethyl-4H-quinoxalin-2-one?
The IUPAC name of 1,3,3,7,8-pentamethyl-4H-quinoxalin-2-one (CID 84623091) is 1,3,3,7,8-pentamethyl-4H-quinoxalin-2-one.
What is the SMILES notation for 1,3,3,7,8-pentamethyl-4H-quinoxalin-2-one?
The canonical SMILES for 1,3,3,7,8-pentamethyl-4H-quinoxalin-2-one is Cc1ccc2c(c1C)N(C)C(=O)C(C)(C)N2.
What is the InChIKey of 1,3,3,7,8-pentamethyl-4H-quinoxalin-2-one?
The InChIKey is PHGZFHYKPOFDSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-8-6-7-10-11(9(8)2)15(5)12(16)13(3,4)14-10/h6-7,14H,1-5H3.
What are the key properties of 1,3,3,7,8-pentamethyl-4H-quinoxalin-2-one?
1,3,3,7,8-pentamethyl-4H-quinoxalin-2-one has a molecular weight of 218.30 g/mol, XLogP of 2.47, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3,7,8-pentamethyl-4H-quinoxalin-2-one is sourced from PubChem (CID 84623091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).