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

C20H22N6O2 — CID 46324411

IUPAC3-methyl-1-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]quinoxalin-2-one
SMILESCc1nc2ccccc2n(CCC(=O)N2CCN(c3ncccn3)CC2)c1=O
InChIInChI=1S/C20H22N6O2/c1-15-19(28)26(17-6-3-2-5-16(17)23-15)10-7-18(27)24-11-13-25(14-12-24)20-21-8-4-9-22-20/h2-6,8-9H,7,10-14H2,1H3
InChIKeyKRFXEWIMCXIKHD-UHFFFAOYSA-N
MW378.44 g/mol
LogP1.23
Rot. Bonds4

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

3-methyl-1-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]quinoxalin-2-one (PubChem CID 46324411) has the molecular formula C20H22N6O2 and a molecular weight of 378.44 g/mol. Its IUPAC name is 3-methyl-1-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]quinoxalin-2-one.

Molecular Properties

Compound Name3-methyl-1-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]quinoxalin-2-one
PubChem CID46324411
Molecular FormulaC20H22N6O2
Molecular Weight378.44 g/mol
Exact Mass378.18
IUPAC Name3-methyl-1-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]quinoxalin-2-one
SMILESCc1nc2ccccc2n(CCC(=O)N2CCN(c3ncccn3)CC2)c1=O
InChIInChI=1S/C20H22N6O2/c1-15-19(28)26(17-6-3-2-5-16(17)23-15)10-7-18(27)24-11-13-25(14-12-24)20-21-8-4-9-22-20/h2-6,8-9H,7,10-14H2,1H3
InChIKeyKRFXEWIMCXIKHD-UHFFFAOYSA-N
XLogP1.23
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[3-[4-(4-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-3-methylquinoxalin-2-one
CID 46324340
1-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-3-piperidin-1-ylquinoxalin-2-one
CID 91951434
3-(3-methyl-2-oxoquinoxalin-1-yl)propanoic acid
CID 62374383
1-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]quinazoline-2,4-dione
CID 25392952
1-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-3-piperidin-1-ylquinoxalin-2-one
CID 91951447
1-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-oxopropyl]-3,6,7-trimethylquinoxalin-2-one
CID 46324518
3-(dimethylamino)-1-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]quinoxalin-2-one
CID 91951087
3,6,7-trimethyl-1-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]quinoxalin-2-one
CID 46324538
1-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-3,6,7-trimethylquinoxalin-2-one
CID 46324543
[5-(1-propylbenzimidazol-2-yl)thiophen-2-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 4732078
3-(4-methylpiperazin-1-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 110854951
3-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1H-quinoxalin-2-one
CID 8853290

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]quinoxalin-2-one?
The IUPAC name of 3-methyl-1-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]quinoxalin-2-one (CID 46324411) is 3-methyl-1-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]quinoxalin-2-one.
What is the SMILES notation for 3-methyl-1-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]quinoxalin-2-one?
The canonical SMILES for 3-methyl-1-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]quinoxalin-2-one is Cc1nc2ccccc2n(CCC(=O)N2CCN(c3ncccn3)CC2)c1=O.
What is the InChIKey of 3-methyl-1-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]quinoxalin-2-one?
The InChIKey is KRFXEWIMCXIKHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O2/c1-15-19(28)26(17-6-3-2-5-16(17)23-15)10-7-18(27)24-11-13-25(14-12-24)20-21-8-4-9-22-20/h2-6,8-9H,7,10-14H2,1H3.
What are the key properties of 3-methyl-1-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]quinoxalin-2-one?
3-methyl-1-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]quinoxalin-2-one has a molecular weight of 378.44 g/mol, XLogP of 1.23, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]quinoxalin-2-one is sourced from PubChem (CID 46324411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).