7-(hydroxymethyl)-1,3,3-trimethyl-4H-quinoxalin-2-one

C12H16N2O2 — CID 115096207

IUPAC7-(hydroxymethyl)-1,3,3-trimethyl-4H-quinoxalin-2-one
SMILESCN1C(=O)C(C)(C)Nc2ccc(CO)cc21
InChIInChI=1S/C12H16N2O2/c1-12(2)11(16)14(3)10-6-8(7-15)4-5-9(10)13-12/h4-6,13,15H,7H2,1-3H3
InChIKeyRHOVRONTFPUSPD-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.35
Rot. Bonds1

About 7-(hydroxymethyl)-1,3,3-trimethyl-4H-quinoxalin-2-one

7-(hydroxymethyl)-1,3,3-trimethyl-4H-quinoxalin-2-one (PubChem CID 115096207) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 7-(hydroxymethyl)-1,3,3-trimethyl-4H-quinoxalin-2-one.

Molecular Properties

Compound Name7-(hydroxymethyl)-1,3,3-trimethyl-4H-quinoxalin-2-one
PubChem CID115096207
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name7-(hydroxymethyl)-1,3,3-trimethyl-4H-quinoxalin-2-one
SMILESCN1C(=O)C(C)(C)Nc2ccc(CO)cc21
InChIInChI=1S/C12H16N2O2/c1-12(2)11(16)14(3)10-6-8(7-15)4-5-9(10)13-12/h4-6,13,15H,7H2,1-3H3
InChIKeyRHOVRONTFPUSPD-UHFFFAOYSA-N
XLogP1.35
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-(hydroxymethyl)-3,3-dimethyl-1-propan-2-yl-4H-quinoxalin-2-one
CID 115096214
1,3,3,7,8-pentamethyl-4H-quinoxalin-2-one
CID 84623091
1,3,3-trimethyl-8-propan-2-yl-4H-quinoxalin-2-one
CID 84627207
(2,2-dimethyl-3,4-dihydro-1H-quinoxalin-6-yl)methanol
CID 115096233
4-[2-chloro-4-(hydroxymethyl)phenyl]-1,3,3-trimethylpiperazin-2-one
CID 81152042
6-(aminomethyl)-1-ethyl-3,3-dimethyl-4H-quinoxalin-2-one
CID 115096362
2-(3,3-dimethyl-2-oxo-4H-quinoxalin-1-yl)acetic acid
CID 82157084
(2,2-dimethyl-3,4-dihydro-1H-quinolin-6-yl)methanol
CID 15720423
4-(2-hydroxyethyl)-7-(hydroxymethyl)-2,2-dimethyl-1,4-benzoxazin-3-one
CID 82338544
5-(3-hydroxypropyl)-1,3,3-trimethylindol-2-one
CID 82475607
4-[4-(hydroxymethyl)-2-methylphenyl]-3,3-dimethylpiperazine-2,6-dione
CID 66075360
6-(hydroxymethyl)-4-(methoxymethyl)-2,2-dimethyl-1,4-benzoxazin-3-one
CID 82338323

Frequently Asked Questions

What is the IUPAC name of 7-(hydroxymethyl)-1,3,3-trimethyl-4H-quinoxalin-2-one?
The IUPAC name of 7-(hydroxymethyl)-1,3,3-trimethyl-4H-quinoxalin-2-one (CID 115096207) is 7-(hydroxymethyl)-1,3,3-trimethyl-4H-quinoxalin-2-one.
What is the SMILES notation for 7-(hydroxymethyl)-1,3,3-trimethyl-4H-quinoxalin-2-one?
The canonical SMILES for 7-(hydroxymethyl)-1,3,3-trimethyl-4H-quinoxalin-2-one is CN1C(=O)C(C)(C)Nc2ccc(CO)cc21.
What is the InChIKey of 7-(hydroxymethyl)-1,3,3-trimethyl-4H-quinoxalin-2-one?
The InChIKey is RHOVRONTFPUSPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-12(2)11(16)14(3)10-6-8(7-15)4-5-9(10)13-12/h4-6,13,15H,7H2,1-3H3.
What are the key properties of 7-(hydroxymethyl)-1,3,3-trimethyl-4H-quinoxalin-2-one?
7-(hydroxymethyl)-1,3,3-trimethyl-4H-quinoxalin-2-one has a molecular weight of 220.27 g/mol, XLogP of 1.35, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(hydroxymethyl)-1,3,3-trimethyl-4H-quinoxalin-2-one is sourced from PubChem (CID 115096207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).