5,7-dimethyl-3-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1H-quinolin-2-one

C22H25N5O2 — CID 110331741

IUPAC5,7-dimethyl-3-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1H-quinolin-2-one
SMILESCc1cc(C)c2cc(CCC(=O)N3CCN(c4ncccn4)CC3)c(=O)[nH]c2c1
InChIInChI=1S/C22H25N5O2/c1-15-12-16(2)18-14-17(21(29)25-19(18)13-15)4-5-20(28)26-8-10-27(11-9-26)22-23-6-3-7-24-22/h3,6-7,12-14H,4-5,8-11H2,1-2H3,(H,25,29)
InChIKeyXEOIYXLRQZPDAA-UHFFFAOYSA-N
MW391.48 g/mol
LogP2.22
Rot. Bonds4

About 5,7-dimethyl-3-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1H-quinolin-2-one

5,7-dimethyl-3-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1H-quinolin-2-one (PubChem CID 110331741) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is 5,7-dimethyl-3-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name5,7-dimethyl-3-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1H-quinolin-2-one
PubChem CID110331741
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Name5,7-dimethyl-3-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1H-quinolin-2-one
SMILESCc1cc(C)c2cc(CCC(=O)N3CCN(c4ncccn4)CC3)c(=O)[nH]c2c1
InChIInChI=1S/C22H25N5O2/c1-15-12-16(2)18-14-17(21(29)25-19(18)13-15)4-5-20(28)26-8-10-27(11-9-26)22-23-6-3-7-24-22/h3,6-7,12-14H,4-5,8-11H2,1-2H3,(H,25,29)
InChIKeyXEOIYXLRQZPDAA-UHFFFAOYSA-N
XLogP2.22
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5,7-dimethyl-3-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1H-quinolin-2-one with MolForge

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Related Compounds

5,7-dimethyl-3-(3-oxo-3-piperidin-1-ylpropyl)-1H-quinolin-2-one
CID 110331696
ethyl 4-[3-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)propanoyl]piperazine-1-carboxylate
CID 110331739
6-methoxy-3-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1H-quinolin-2-one
CID 53174733
3-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1H-quinoxalin-2-one
CID 8853290
2-(2,5-dimethyl-1H-pyrrol-3-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 110773513
3-[3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]-1H-quinolin-2-one
CID 110330988
6,7-dimethoxy-3-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1H-quinazoline-2,4-dione
CID 46506229
7-methyl-3-(3-oxo-3-pyrrolidin-1-ylpropyl)-1H-quinolin-2-one
CID 53174869
1-(4-pyrimidin-2-ylpiperazin-1-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 36873080
4-[3-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)propanoyl]piperazine-1-carbaldehyde
CID 110331540
2-(5-chloro-2-methyl-1H-indol-3-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 113211979
2-(3,5-dimethylphenoxy)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 2381168

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-3-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1H-quinolin-2-one?
The IUPAC name of 5,7-dimethyl-3-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1H-quinolin-2-one (CID 110331741) is 5,7-dimethyl-3-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1H-quinolin-2-one.
What is the SMILES notation for 5,7-dimethyl-3-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1H-quinolin-2-one?
The canonical SMILES for 5,7-dimethyl-3-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1H-quinolin-2-one is Cc1cc(C)c2cc(CCC(=O)N3CCN(c4ncccn4)CC3)c(=O)[nH]c2c1.
What is the InChIKey of 5,7-dimethyl-3-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1H-quinolin-2-one?
The InChIKey is XEOIYXLRQZPDAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-15-12-16(2)18-14-17(21(29)25-19(18)13-15)4-5-20(28)26-8-10-27(11-9-26)22-23-6-3-7-24-22/h3,6-7,12-14H,4-5,8-11H2,1-2H3,(H,25,29).
What are the key properties of 5,7-dimethyl-3-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1H-quinolin-2-one?
5,7-dimethyl-3-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1H-quinolin-2-one has a molecular weight of 391.48 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-3-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1H-quinolin-2-one is sourced from PubChem (CID 110331741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).