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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Related Compounds

4-[2-(4-methoxyphenyl)acetyl]-1-propan-2-yl-3H-quinoxalin-2-one
CID 110713507
N-(4-chlorophenyl)-3-oxo-4-propan-2-yl-2H-quinoxaline-1-carboxamide
CID 110747387
1-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one
CID 71106683
1-(3-ethyl-2,3-dihydroindol-1-yl)butan-1-one
CID 71107498
1-[4-(2-pyrrolidin-1-ylethyl)-2,3-dihydroquinoxalin-1-yl]butan-1-one
CID 110361424
1-(1,3-dihydroisoindol-2-yl)butan-1-one
CID 63613926
1-spiro[2H-indole-3,1'-cyclopentane]-1-ylbutan-1-one
CID 110750758
1-(4-propan-2-yl-2,3-dihydroquinoxalin-1-yl)propan-1-one
CID 110669768
1-butanoyl-3,4-dihydro-2H-quinoline-3-carboxylic acid
CID 106902190
4-(2-methylphenyl)sulfonyl-1-propan-2-yl-3H-quinoxalin-2-one
CID 110713560
1-tetradecanoyl-2,3-dihydroquinolin-4-one
CID 57163991
1-(3-oxopentan-2-yl)-3,4-dihydroquinolin-2-one
CID 64865861

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).