5-methoxy-3,3-dimethyl-1-propan-2-yl-4H-quinoxalin-2-one

C14H20N2O2 — CID 115094901

IUPAC5-methoxy-3,3-dimethyl-1-propan-2-yl-4H-quinoxalin-2-one
SMILESCOc1cccc2c1NC(C)(C)C(=O)N2C(C)C
InChIInChI=1S/C14H20N2O2/c1-9(2)16-10-7-6-8-11(18-5)12(10)15-14(3,4)13(16)17/h6-9,15H,1-5H3
InChIKeyGIECAMOMAGXVJW-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.64
Rot. Bonds2

About 5-methoxy-3,3-dimethyl-1-propan-2-yl-4H-quinoxalin-2-one

5-methoxy-3,3-dimethyl-1-propan-2-yl-4H-quinoxalin-2-one (PubChem CID 115094901) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 5-methoxy-3,3-dimethyl-1-propan-2-yl-4H-quinoxalin-2-one.

Molecular Properties

Compound Name5-methoxy-3,3-dimethyl-1-propan-2-yl-4H-quinoxalin-2-one
PubChem CID115094901
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name5-methoxy-3,3-dimethyl-1-propan-2-yl-4H-quinoxalin-2-one
SMILESCOc1cccc2c1NC(C)(C)C(=O)N2C(C)C
InChIInChI=1S/C14H20N2O2/c1-9(2)16-10-7-6-8-11(18-5)12(10)15-14(3,4)13(16)17/h6-9,15H,1-5H3
InChIKeyGIECAMOMAGXVJW-UHFFFAOYSA-N
XLogP2.64
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methoxy-1-propan-2-yl-3,5-dihydro-2H-1,5-benzodiazepin-4-one
CID 113393211
8-amino-3,3-dimethyl-1-propan-2-yl-4H-quinoxalin-2-one
CID 115096054
8-(aminomethyl)-3,3-dimethyl-1-propan-2-yl-4H-quinoxalin-2-one
CID 115096051
6-methoxy-1-propan-2-yl-4,5-dihydro-3H-1-benzazepin-2-one
CID 58575678
8-methoxy-4-methylspiro[1,3-dihydroquinoxaline-2,1'-cyclopentane]
CID 84627183
3,3-dimethyl-1,4-di(propan-2-yl)indol-2-one
CID 171748299
6,7-dichloro-3,3-dimethyl-1-propan-2-yl-4H-quinoxalin-2-one
CID 82157685
(2R)-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(2S)-1-(2-methoxyphenyl)propan-2-yl]propanamide
CID 51498109
(2S)-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[3-(2-methoxyphenyl)propyl]propanamide
CID 51497690
7-(hydroxymethyl)-3,3-dimethyl-1-propan-2-yl-4H-quinoxalin-2-one
CID 115096214
4-(2-methoxyphenyl)-3,3,6,6-tetramethylpiperazin-2-one
CID 117023902
3,3-dimethyl-1-pentan-2-yl-4H-1,4-benzodiazepine-2,5-dione
CID 107888990

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3,3-dimethyl-1-propan-2-yl-4H-quinoxalin-2-one?
The IUPAC name of 5-methoxy-3,3-dimethyl-1-propan-2-yl-4H-quinoxalin-2-one (CID 115094901) is 5-methoxy-3,3-dimethyl-1-propan-2-yl-4H-quinoxalin-2-one.
What is the SMILES notation for 5-methoxy-3,3-dimethyl-1-propan-2-yl-4H-quinoxalin-2-one?
The canonical SMILES for 5-methoxy-3,3-dimethyl-1-propan-2-yl-4H-quinoxalin-2-one is COc1cccc2c1NC(C)(C)C(=O)N2C(C)C.
What is the InChIKey of 5-methoxy-3,3-dimethyl-1-propan-2-yl-4H-quinoxalin-2-one?
The InChIKey is GIECAMOMAGXVJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-9(2)16-10-7-6-8-11(18-5)12(10)15-14(3,4)13(16)17/h6-9,15H,1-5H3.
What are the key properties of 5-methoxy-3,3-dimethyl-1-propan-2-yl-4H-quinoxalin-2-one?
5-methoxy-3,3-dimethyl-1-propan-2-yl-4H-quinoxalin-2-one has a molecular weight of 248.33 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3,3-dimethyl-1-propan-2-yl-4H-quinoxalin-2-one is sourced from PubChem (CID 115094901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).