3-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1H-quinoxalin-2-one

C19H20N6O2 — CID 8853290

IUPAC3-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1H-quinoxalin-2-one
SMILESO=C(CCc1nc2ccccc2[nH]c1=O)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C19H20N6O2/c26-17(24-10-12-25(13-11-24)19-20-8-3-9-21-19)7-6-16-18(27)23-15-5-2-1-4-14(15)22-16/h1-5,8-9H,6-7,10-13H2,(H,23,27)
InChIKeyRIKLSDIVTFYZJE-UHFFFAOYSA-N
MW364.41 g/mol
LogP0.99
Rot. Bonds4

About 3-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1H-quinoxalin-2-one

3-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1H-quinoxalin-2-one (PubChem CID 8853290) has the molecular formula C19H20N6O2 and a molecular weight of 364.41 g/mol. Its IUPAC name is 3-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1H-quinoxalin-2-one.

Molecular Properties

Compound Name3-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1H-quinoxalin-2-one
PubChem CID8853290
Molecular FormulaC19H20N6O2
Molecular Weight364.41 g/mol
Exact Mass364.16
IUPAC Name3-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1H-quinoxalin-2-one
SMILESO=C(CCc1nc2ccccc2[nH]c1=O)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C19H20N6O2/c26-17(24-10-12-25(13-11-24)19-20-8-3-9-21-19)7-6-16-18(27)23-15-5-2-1-4-14(15)22-16/h1-5,8-9H,6-7,10-13H2,(H,23,27)
InChIKeyRIKLSDIVTFYZJE-UHFFFAOYSA-N
XLogP0.99
TPSA95.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1H-quinoxalin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[3-(4-butanoylpiperazin-1-yl)-3-oxopropyl]-1H-quinoxalin-2-one
CID 110799968
3-[3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]-1H-quinoxalin-2-one
CID 23474431
3-[3-(4-methyl-3-oxopiperazin-1-yl)-3-oxopropyl]-1H-quinoxalin-2-one
CID 110741171
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-(naphthalen-1-ylmethyl)piperazin-1-yl]-3-oxopropyl]-1H-quinoxalin-2-one
CID 17430756
4-(1H-benzimidazol-2-ylsulfanyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-one
CID 8007506
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
1'-[3-(3-oxo-4H-quinoxalin-2-yl)propanoyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108734214
3-(1H-benzimidazol-2-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 18145539

Frequently Asked Questions

What is the IUPAC name of 3-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1H-quinoxalin-2-one?
The IUPAC name of 3-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1H-quinoxalin-2-one (CID 8853290) is 3-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1H-quinoxalin-2-one.
What is the SMILES notation for 3-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1H-quinoxalin-2-one?
The canonical SMILES for 3-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1H-quinoxalin-2-one is O=C(CCc1nc2ccccc2[nH]c1=O)N1CCN(c2ncccn2)CC1.
What is the InChIKey of 3-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1H-quinoxalin-2-one?
The InChIKey is RIKLSDIVTFYZJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O2/c26-17(24-10-12-25(13-11-24)19-20-8-3-9-21-19)7-6-16-18(27)23-15-5-2-1-4-14(15)22-16/h1-5,8-9H,6-7,10-13H2,(H,23,27).
What are the key properties of 3-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1H-quinoxalin-2-one?
3-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1H-quinoxalin-2-one has a molecular weight of 364.41 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1H-quinoxalin-2-one is sourced from PubChem (CID 8853290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).