7-hydroxy-3,3-dimethyl-4-propan-2-yl-1H-quinoxalin-2-one

C13H18N2O2 — CID 115095648

IUPAC7-hydroxy-3,3-dimethyl-4-propan-2-yl-1H-quinoxalin-2-one
SMILESCC(C)N1c2ccc(O)cc2NC(=O)C1(C)C
InChIInChI=1S/C13H18N2O2/c1-8(2)15-11-6-5-9(16)7-10(11)14-12(17)13(15,3)4/h5-8,16H,1-4H3,(H,14,17)
InChIKeyBFXRXBFNEDWKID-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.34
Rot. Bonds1

About 7-hydroxy-3,3-dimethyl-4-propan-2-yl-1H-quinoxalin-2-one

7-hydroxy-3,3-dimethyl-4-propan-2-yl-1H-quinoxalin-2-one (PubChem CID 115095648) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 7-hydroxy-3,3-dimethyl-4-propan-2-yl-1H-quinoxalin-2-one.

Molecular Properties

Compound Name7-hydroxy-3,3-dimethyl-4-propan-2-yl-1H-quinoxalin-2-one
PubChem CID115095648
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name7-hydroxy-3,3-dimethyl-4-propan-2-yl-1H-quinoxalin-2-one
SMILESCC(C)N1c2ccc(O)cc2NC(=O)C1(C)C
InChIInChI=1S/C13H18N2O2/c1-8(2)15-11-6-5-9(16)7-10(11)14-12(17)13(15,3)4/h5-8,16H,1-4H3,(H,14,17)
InChIKeyBFXRXBFNEDWKID-UHFFFAOYSA-N
XLogP2.34
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 7-hydroxy-3,3-dimethyl-4-propan-2-yl-1H-quinoxalin-2-one with MolForge

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Launch Full Analysis

Related Compounds

1-ethyl-7-hydroxy-3,3-dimethyl-5H-1,5-benzodiazepine-2,4-dione
CID 50943220
3,3,4,7-tetramethyl-1H-quinoxalin-2-one
CID 79291288
3,3,8-trimethyl-4-propan-2-yl-1H-quinoxalin-2-one
CID 115095581
4-ethyl-3,3,7-trimethyl-1H-quinoxalin-2-one
CID 79291560
7-fluoro-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclopentane]-2-one
CID 115097791
7-chloro-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclobutane]-2-one
CID 115097456
5-hydroxy-3,3,4-trimethyl-1H-quinoxalin-2-one
CID 115095429
1-ethyl-7-hydroxy-3,3-dimethyl-5-(2-methylpropyl)-1,5-benzodiazepine-2,4-dione
CID 50943222
3,6,6-trimethyl-1-propan-2-ylpiperazine-2,5-dione
CID 64874694
4-ethyl-6-hydroxyspiro[1H-quinoxaline-3,1'-cyclohexane]-2-one
CID 115098187
4-(2-chloroacetyl)-7-fluoro-3,3-dimethyl-1H-quinoxalin-2-one
CID 52988151
7-hydroxy-5-methylspiro[1,4-dihydro-1,5-benzodiazepine-3,1'-cyclopentane]-2-one
CID 115099669

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-3,3-dimethyl-4-propan-2-yl-1H-quinoxalin-2-one?
The IUPAC name of 7-hydroxy-3,3-dimethyl-4-propan-2-yl-1H-quinoxalin-2-one (CID 115095648) is 7-hydroxy-3,3-dimethyl-4-propan-2-yl-1H-quinoxalin-2-one.
What is the SMILES notation for 7-hydroxy-3,3-dimethyl-4-propan-2-yl-1H-quinoxalin-2-one?
The canonical SMILES for 7-hydroxy-3,3-dimethyl-4-propan-2-yl-1H-quinoxalin-2-one is CC(C)N1c2ccc(O)cc2NC(=O)C1(C)C.
What is the InChIKey of 7-hydroxy-3,3-dimethyl-4-propan-2-yl-1H-quinoxalin-2-one?
The InChIKey is BFXRXBFNEDWKID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-8(2)15-11-6-5-9(16)7-10(11)14-12(17)13(15,3)4/h5-8,16H,1-4H3,(H,14,17).
What are the key properties of 7-hydroxy-3,3-dimethyl-4-propan-2-yl-1H-quinoxalin-2-one?
7-hydroxy-3,3-dimethyl-4-propan-2-yl-1H-quinoxalin-2-one has a molecular weight of 234.30 g/mol, XLogP of 2.34, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-3,3-dimethyl-4-propan-2-yl-1H-quinoxalin-2-one is sourced from PubChem (CID 115095648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).