7-(hydroxymethyl)-3,3-dimethyl-1-propan-2-yl-4H-quinoxalin-2-one

C14H20N2O2 — CID 115096214

IUPAC7-(hydroxymethyl)-3,3-dimethyl-1-propan-2-yl-4H-quinoxalin-2-one
SMILESCC(C)N1C(=O)C(C)(C)Nc2ccc(CO)cc21
InChIInChI=1S/C14H20N2O2/c1-9(2)16-12-7-10(8-17)5-6-11(12)15-14(3,4)13(16)18/h5-7,9,15,17H,8H2,1-4H3
InChIKeyMBFPQACZYMTIHC-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.12
Rot. Bonds2

About 7-(hydroxymethyl)-3,3-dimethyl-1-propan-2-yl-4H-quinoxalin-2-one

7-(hydroxymethyl)-3,3-dimethyl-1-propan-2-yl-4H-quinoxalin-2-one (PubChem CID 115096214) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 7-(hydroxymethyl)-3,3-dimethyl-1-propan-2-yl-4H-quinoxalin-2-one.

Molecular Properties

Compound Name7-(hydroxymethyl)-3,3-dimethyl-1-propan-2-yl-4H-quinoxalin-2-one
PubChem CID115096214
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name7-(hydroxymethyl)-3,3-dimethyl-1-propan-2-yl-4H-quinoxalin-2-one
SMILESCC(C)N1C(=O)C(C)(C)Nc2ccc(CO)cc21
InChIInChI=1S/C14H20N2O2/c1-9(2)16-12-7-10(8-17)5-6-11(12)15-14(3,4)13(16)18/h5-7,9,15,17H,8H2,1-4H3
InChIKeyMBFPQACZYMTIHC-UHFFFAOYSA-N
XLogP2.12
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-(hydroxymethyl)-1,3,3-trimethyl-4H-quinoxalin-2-one
CID 115096207
6,7-dichloro-3,3-dimethyl-1-propan-2-yl-4H-quinoxalin-2-one
CID 82157685
8-(aminomethyl)-3,3-dimethyl-1-propan-2-yl-4H-quinoxalin-2-one
CID 115096051
8-amino-3,3-dimethyl-1-propan-2-yl-4H-quinoxalin-2-one
CID 115096054
5-methoxy-3,3-dimethyl-1-propan-2-yl-4H-quinoxalin-2-one
CID 115094901
4-[4-(hydroxymethyl)-2-methylphenyl]-3,3-dimethylpiperazine-2,6-dione
CID 66075360
(2,2-dimethyl-3,4-dihydro-1H-quinoxalin-6-yl)methanol
CID 115096233
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
6-ethyl-1-(1-hydroxyethyl)-3,3-dimethylindol-2-one
CID 159500638
(2S)-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-4-methylpentanoic acid
CID 69108488

Frequently Asked Questions

What is the IUPAC name of 7-(hydroxymethyl)-3,3-dimethyl-1-propan-2-yl-4H-quinoxalin-2-one?
The IUPAC name of 7-(hydroxymethyl)-3,3-dimethyl-1-propan-2-yl-4H-quinoxalin-2-one (CID 115096214) is 7-(hydroxymethyl)-3,3-dimethyl-1-propan-2-yl-4H-quinoxalin-2-one.
What is the SMILES notation for 7-(hydroxymethyl)-3,3-dimethyl-1-propan-2-yl-4H-quinoxalin-2-one?
The canonical SMILES for 7-(hydroxymethyl)-3,3-dimethyl-1-propan-2-yl-4H-quinoxalin-2-one is CC(C)N1C(=O)C(C)(C)Nc2ccc(CO)cc21.
What is the InChIKey of 7-(hydroxymethyl)-3,3-dimethyl-1-propan-2-yl-4H-quinoxalin-2-one?
The InChIKey is MBFPQACZYMTIHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-9(2)16-12-7-10(8-17)5-6-11(12)15-14(3,4)13(16)18/h5-7,9,15,17H,8H2,1-4H3.
What are the key properties of 7-(hydroxymethyl)-3,3-dimethyl-1-propan-2-yl-4H-quinoxalin-2-one?
7-(hydroxymethyl)-3,3-dimethyl-1-propan-2-yl-4H-quinoxalin-2-one has a molecular weight of 248.33 g/mol, XLogP of 2.12, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(hydroxymethyl)-3,3-dimethyl-1-propan-2-yl-4H-quinoxalin-2-one is sourced from PubChem (CID 115096214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).