3-[3-(4-butanoylpiperazin-1-yl)-3-oxopropyl]-1H-quinoxalin-2-one

C19H24N4O3 — CID 110799968

IUPAC3-[3-(4-butanoylpiperazin-1-yl)-3-oxopropyl]-1H-quinoxalin-2-one
SMILESCCCC(=O)N1CCN(C(=O)CCc2nc3ccccc3[nH]c2=O)CC1
InChIInChI=1S/C19H24N4O3/c1-2-5-17(24)22-10-12-23(13-11-22)18(25)9-8-16-19(26)21-15-7-4-3-6-14(15)20-16/h3-4,6-7H,2,5,8-13H2,1H3,(H,21,26)
InChIKeyIXQPKLFPDHKWRW-UHFFFAOYSA-N
MW356.43 g/mol
LogP1.33
Rot. Bonds5

About 3-[3-(4-butanoylpiperazin-1-yl)-3-oxopropyl]-1H-quinoxalin-2-one

3-[3-(4-butanoylpiperazin-1-yl)-3-oxopropyl]-1H-quinoxalin-2-one (PubChem CID 110799968) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is 3-[3-(4-butanoylpiperazin-1-yl)-3-oxopropyl]-1H-quinoxalin-2-one.

Molecular Properties

Compound Name3-[3-(4-butanoylpiperazin-1-yl)-3-oxopropyl]-1H-quinoxalin-2-one
PubChem CID110799968
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name3-[3-(4-butanoylpiperazin-1-yl)-3-oxopropyl]-1H-quinoxalin-2-one
SMILESCCCC(=O)N1CCN(C(=O)CCc2nc3ccccc3[nH]c2=O)CC1
InChIInChI=1S/C19H24N4O3/c1-2-5-17(24)22-10-12-23(13-11-22)18(25)9-8-16-19(26)21-15-7-4-3-6-14(15)20-16/h3-4,6-7H,2,5,8-13H2,1H3,(H,21,26)
InChIKeyIXQPKLFPDHKWRW-UHFFFAOYSA-N
XLogP1.33
TPSA86.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-oxo-3-[4-(2-oxopropyl)piperazin-1-yl]propyl]-1H-quinoxalin-2-one
CID 110665541
3-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-1H-quinoxalin-2-one
CID 23474428
3-[3-(4-methyl-3-oxopiperazin-1-yl)-3-oxopropyl]-1H-quinoxalin-2-one
CID 110741171
3-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1H-quinoxalin-2-one
CID 8853290
3-[3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]-1H-quinoxalin-2-one
CID 23474431
3-[3-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-3-oxopropyl]-1H-quinoxalin-2-one
CID 17430756
3-[3-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-3-oxopropyl]-1H-quinoxalin-2-one
CID 72861368
3-[3-oxo-3-[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]propyl]-1H-quinoxalin-2-one
CID 72902475
3-[3-[4-[(dimethylamino)methyl]-4-hydroxyazepan-1-yl]-3-oxopropyl]-1H-quinoxalin-2-one
CID 56910348
3-[3-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]-1H-quinoxalin-2-one
CID 110746234
3-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]-1H-quinoxalin-2-one
CID 71691969
(5R)-3-methyl-9-[3-(3-oxo-4H-quinoxalin-2-yl)propanoyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 95719850

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-butanoylpiperazin-1-yl)-3-oxopropyl]-1H-quinoxalin-2-one?
The IUPAC name of 3-[3-(4-butanoylpiperazin-1-yl)-3-oxopropyl]-1H-quinoxalin-2-one (CID 110799968) is 3-[3-(4-butanoylpiperazin-1-yl)-3-oxopropyl]-1H-quinoxalin-2-one.
What is the SMILES notation for 3-[3-(4-butanoylpiperazin-1-yl)-3-oxopropyl]-1H-quinoxalin-2-one?
The canonical SMILES for 3-[3-(4-butanoylpiperazin-1-yl)-3-oxopropyl]-1H-quinoxalin-2-one is CCCC(=O)N1CCN(C(=O)CCc2nc3ccccc3[nH]c2=O)CC1.
What is the InChIKey of 3-[3-(4-butanoylpiperazin-1-yl)-3-oxopropyl]-1H-quinoxalin-2-one?
The InChIKey is IXQPKLFPDHKWRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-2-5-17(24)22-10-12-23(13-11-22)18(25)9-8-16-19(26)21-15-7-4-3-6-14(15)20-16/h3-4,6-7H,2,5,8-13H2,1H3,(H,21,26).
What are the key properties of 3-[3-(4-butanoylpiperazin-1-yl)-3-oxopropyl]-1H-quinoxalin-2-one?
3-[3-(4-butanoylpiperazin-1-yl)-3-oxopropyl]-1H-quinoxalin-2-one has a molecular weight of 356.43 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-butanoylpiperazin-1-yl)-3-oxopropyl]-1H-quinoxalin-2-one is sourced from PubChem (CID 110799968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).