3-methyl-1-(2-methylpropyl)-3,4-dihydroquinoxalin-2-one

C13H18N2O — CID 82156979

IUPAC3-methyl-1-(2-methylpropyl)-3,4-dihydroquinoxalin-2-one
SMILESCC(C)CN1C(=O)C(C)Nc2ccccc21
InChIInChI=1S/C13H18N2O/c1-9(2)8-15-12-7-5-4-6-11(12)14-10(3)13(15)16/h4-7,9-10,14H,8H2,1-3H3
InChIKeyIZRWQBCMJHLLDI-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.49
Rot. Bonds2

About 3-methyl-1-(2-methylpropyl)-3,4-dihydroquinoxalin-2-one

3-methyl-1-(2-methylpropyl)-3,4-dihydroquinoxalin-2-one (PubChem CID 82156979) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 3-methyl-1-(2-methylpropyl)-3,4-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name3-methyl-1-(2-methylpropyl)-3,4-dihydroquinoxalin-2-one
PubChem CID82156979
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name3-methyl-1-(2-methylpropyl)-3,4-dihydroquinoxalin-2-one
SMILESCC(C)CN1C(=O)C(C)Nc2ccccc21
InChIInChI=1S/C13H18N2O/c1-9(2)8-15-12-7-5-4-6-11(12)14-10(3)13(15)16/h4-7,9-10,14H,8H2,1-3H3
InChIKeyIZRWQBCMJHLLDI-UHFFFAOYSA-N
XLogP2.49
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-methylpropyl)-3,4-dihydroquinoxalin-2-one?
The IUPAC name of 3-methyl-1-(2-methylpropyl)-3,4-dihydroquinoxalin-2-one (CID 82156979) is 3-methyl-1-(2-methylpropyl)-3,4-dihydroquinoxalin-2-one.
What is the SMILES notation for 3-methyl-1-(2-methylpropyl)-3,4-dihydroquinoxalin-2-one?
The canonical SMILES for 3-methyl-1-(2-methylpropyl)-3,4-dihydroquinoxalin-2-one is CC(C)CN1C(=O)C(C)Nc2ccccc21.
What is the InChIKey of 3-methyl-1-(2-methylpropyl)-3,4-dihydroquinoxalin-2-one?
The InChIKey is IZRWQBCMJHLLDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-9(2)8-15-12-7-5-4-6-11(12)14-10(3)13(15)16/h4-7,9-10,14H,8H2,1-3H3.
What are the key properties of 3-methyl-1-(2-methylpropyl)-3,4-dihydroquinoxalin-2-one?
3-methyl-1-(2-methylpropyl)-3,4-dihydroquinoxalin-2-one has a molecular weight of 218.30 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-methylpropyl)-3,4-dihydroquinoxalin-2-one is sourced from PubChem (CID 82156979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).