1,7-di(propan-2-yl)quinoxalin-2-one

C14H18N2O — CID 121384084

IUPAC1,7-di(propan-2-yl)quinoxalin-2-one
SMILESCC(C)c1ccc2ncc(=O)n(C(C)C)c2c1
InChIInChI=1S/C14H18N2O/c1-9(2)11-5-6-12-13(7-11)16(10(3)4)14(17)8-15-12/h5-10H,1-4H3
InChIKeyZXJZESVJGRYCLA-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.10
Rot. Bonds2

About 1,7-di(propan-2-yl)quinoxalin-2-one

1,7-di(propan-2-yl)quinoxalin-2-one (PubChem CID 121384084) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 1,7-di(propan-2-yl)quinoxalin-2-one.

Molecular Properties

Compound Name1,7-di(propan-2-yl)quinoxalin-2-one
PubChem CID121384084
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name1,7-di(propan-2-yl)quinoxalin-2-one
SMILESCC(C)c1ccc2ncc(=O)n(C(C)C)c2c1
InChIInChI=1S/C14H18N2O/c1-9(2)11-5-6-12-13(7-11)16(10(3)4)14(17)8-15-12/h5-10H,1-4H3
InChIKeyZXJZESVJGRYCLA-UHFFFAOYSA-N
XLogP3.10
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,7-di(propan-2-yl)quinoxalin-2-one?
The IUPAC name of 1,7-di(propan-2-yl)quinoxalin-2-one (CID 121384084) is 1,7-di(propan-2-yl)quinoxalin-2-one.
What is the SMILES notation for 1,7-di(propan-2-yl)quinoxalin-2-one?
The canonical SMILES for 1,7-di(propan-2-yl)quinoxalin-2-one is CC(C)c1ccc2ncc(=O)n(C(C)C)c2c1.
What is the InChIKey of 1,7-di(propan-2-yl)quinoxalin-2-one?
The InChIKey is ZXJZESVJGRYCLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-9(2)11-5-6-12-13(7-11)16(10(3)4)14(17)8-15-12/h5-10H,1-4H3.
What are the key properties of 1,7-di(propan-2-yl)quinoxalin-2-one?
1,7-di(propan-2-yl)quinoxalin-2-one has a molecular weight of 230.31 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-di(propan-2-yl)quinoxalin-2-one is sourced from PubChem (CID 121384084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).