1,3,3-trimethyl-8-propan-2-yl-4H-quinoxalin-2-one

C14H20N2O — CID 84627207

IUPAC1,3,3-trimethyl-8-propan-2-yl-4H-quinoxalin-2-one
SMILESCC(C)c1cccc2c1N(C)C(=O)C(C)(C)N2
InChIInChI=1S/C14H20N2O/c1-9(2)10-7-6-8-11-12(10)16(5)13(17)14(3,4)15-11/h6-9,15H,1-5H3
InChIKeyAKBTXMWWONREBO-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.98
Rot. Bonds1

About 1,3,3-trimethyl-8-propan-2-yl-4H-quinoxalin-2-one

1,3,3-trimethyl-8-propan-2-yl-4H-quinoxalin-2-one (PubChem CID 84627207) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 1,3,3-trimethyl-8-propan-2-yl-4H-quinoxalin-2-one.

Molecular Properties

Compound Name1,3,3-trimethyl-8-propan-2-yl-4H-quinoxalin-2-one
PubChem CID84627207
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name1,3,3-trimethyl-8-propan-2-yl-4H-quinoxalin-2-one
SMILESCC(C)c1cccc2c1N(C)C(=O)C(C)(C)N2
InChIInChI=1S/C14H20N2O/c1-9(2)10-7-6-8-11-12(10)16(5)13(17)14(3,4)15-11/h6-9,15H,1-5H3
InChIKeyAKBTXMWWONREBO-UHFFFAOYSA-N
XLogP2.98
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3,3-trimethyl-8-propan-2-yl-4H-quinoxalin-2-one?
The IUPAC name of 1,3,3-trimethyl-8-propan-2-yl-4H-quinoxalin-2-one (CID 84627207) is 1,3,3-trimethyl-8-propan-2-yl-4H-quinoxalin-2-one.
What is the SMILES notation for 1,3,3-trimethyl-8-propan-2-yl-4H-quinoxalin-2-one?
The canonical SMILES for 1,3,3-trimethyl-8-propan-2-yl-4H-quinoxalin-2-one is CC(C)c1cccc2c1N(C)C(=O)C(C)(C)N2.
What is the InChIKey of 1,3,3-trimethyl-8-propan-2-yl-4H-quinoxalin-2-one?
The InChIKey is AKBTXMWWONREBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-9(2)10-7-6-8-11-12(10)16(5)13(17)14(3,4)15-11/h6-9,15H,1-5H3.
What are the key properties of 1,3,3-trimethyl-8-propan-2-yl-4H-quinoxalin-2-one?
1,3,3-trimethyl-8-propan-2-yl-4H-quinoxalin-2-one has a molecular weight of 232.33 g/mol, XLogP of 2.98, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3-trimethyl-8-propan-2-yl-4H-quinoxalin-2-one is sourced from PubChem (CID 84627207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).