4-butanoyl-1-propan-2-yl-3H-quinoxalin-2-one

C15H20N2O2 — CID 110713479

IUPAC4-butanoyl-1-propan-2-yl-3H-quinoxalin-2-one
SMILESCCCC(=O)N1CC(=O)N(C(C)C)c2ccccc21
InChIInChI=1S/C15H20N2O2/c1-4-7-14(18)16-10-15(19)17(11(2)3)13-9-6-5-8-12(13)16/h5-6,8-9,11H,4,7,10H2,1-3H3
InChIKeySMMOKZFCTXZNMC-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.57
Rot. Bonds3

About 4-butanoyl-1-propan-2-yl-3H-quinoxalin-2-one

4-butanoyl-1-propan-2-yl-3H-quinoxalin-2-one (PubChem CID 110713479) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 4-butanoyl-1-propan-2-yl-3H-quinoxalin-2-one.

Molecular Properties

Compound Name4-butanoyl-1-propan-2-yl-3H-quinoxalin-2-one
PubChem CID110713479
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name4-butanoyl-1-propan-2-yl-3H-quinoxalin-2-one
SMILESCCCC(=O)N1CC(=O)N(C(C)C)c2ccccc21
InChIInChI=1S/C15H20N2O2/c1-4-7-14(18)16-10-15(19)17(11(2)3)13-9-6-5-8-12(13)16/h5-6,8-9,11H,4,7,10H2,1-3H3
InChIKeySMMOKZFCTXZNMC-UHFFFAOYSA-N
XLogP2.57
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-butanoyl-1-propan-2-yl-3H-quinoxalin-2-one?
The IUPAC name of 4-butanoyl-1-propan-2-yl-3H-quinoxalin-2-one (CID 110713479) is 4-butanoyl-1-propan-2-yl-3H-quinoxalin-2-one.
What is the SMILES notation for 4-butanoyl-1-propan-2-yl-3H-quinoxalin-2-one?
The canonical SMILES for 4-butanoyl-1-propan-2-yl-3H-quinoxalin-2-one is CCCC(=O)N1CC(=O)N(C(C)C)c2ccccc21.
What is the InChIKey of 4-butanoyl-1-propan-2-yl-3H-quinoxalin-2-one?
The InChIKey is SMMOKZFCTXZNMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-4-7-14(18)16-10-15(19)17(11(2)3)13-9-6-5-8-12(13)16/h5-6,8-9,11H,4,7,10H2,1-3H3.
What are the key properties of 4-butanoyl-1-propan-2-yl-3H-quinoxalin-2-one?
4-butanoyl-1-propan-2-yl-3H-quinoxalin-2-one has a molecular weight of 260.34 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butanoyl-1-propan-2-yl-3H-quinoxalin-2-one is sourced from PubChem (CID 110713479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).