3-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-8-methylquinazolin-4-one

C22H24N4O3 — CID 38599623

IUPAC3-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-8-methylquinazolin-4-one
SMILESCOc1cccc(N2CCN(C(=O)Cn3cnc4c(C)cccc4c3=O)CC2)c1
InChIInChI=1S/C22H24N4O3/c1-16-5-3-8-19-21(16)23-15-26(22(19)28)14-20(27)25-11-9-24(10-12-25)17-6-4-7-18(13-17)29-2/h3-8,13,15H,9-12,14H2,1-2H3
InChIKeyLEDCNKCRLMXXJC-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.06
Rot. Bonds4

About 3-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-8-methylquinazolin-4-one

3-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-8-methylquinazolin-4-one (PubChem CID 38599623) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 3-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-8-methylquinazolin-4-one.

Molecular Properties

Compound Name3-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-8-methylquinazolin-4-one
PubChem CID38599623
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name3-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-8-methylquinazolin-4-one
SMILESCOc1cccc(N2CCN(C(=O)Cn3cnc4c(C)cccc4c3=O)CC2)c1
InChIInChI=1S/C22H24N4O3/c1-16-5-3-8-19-21(16)23-15-26(22(19)28)14-20(27)25-11-9-24(10-12-25)17-6-4-7-18(13-17)29-2/h3-8,13,15H,9-12,14H2,1-2H3
InChIKeyLEDCNKCRLMXXJC-UHFFFAOYSA-N
XLogP2.06
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-8-methylquinazolin-4-one
CID 60556980
3-[2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]-8-methylquinazolin-4-one
CID 39447640
3-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-8-methylquinazolin-4-one
CID 27873849
8-methyl-3-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]quinazolin-4-one
CID 27872511
3-[2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]-8-methylquinazolin-4-one
CID 27022926
8-methyl-3-[2-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethyl]quinazolin-4-one
CID 39443064
8-methyl-3-[2-[4-(2-methylpropanoyl)piperazin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 51264656
3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-8-methylquinazolin-4-one
CID 27006126
8-methyl-3-[2-oxo-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]ethyl]quinazolin-4-one
CID 43073607
3-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-(4-methylphenyl)pyrimidin-4-one
CID 121063732
3-[2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]-8-methylquinazolin-4-one
CID 35374273
2-[4-[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 134061926

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-8-methylquinazolin-4-one?
The IUPAC name of 3-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-8-methylquinazolin-4-one (CID 38599623) is 3-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-8-methylquinazolin-4-one.
What is the SMILES notation for 3-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-8-methylquinazolin-4-one?
The canonical SMILES for 3-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-8-methylquinazolin-4-one is COc1cccc(N2CCN(C(=O)Cn3cnc4c(C)cccc4c3=O)CC2)c1.
What is the InChIKey of 3-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-8-methylquinazolin-4-one?
The InChIKey is LEDCNKCRLMXXJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-16-5-3-8-19-21(16)23-15-26(22(19)28)14-20(27)25-11-9-24(10-12-25)17-6-4-7-18(13-17)29-2/h3-8,13,15H,9-12,14H2,1-2H3.
What are the key properties of 3-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-8-methylquinazolin-4-one?
3-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-8-methylquinazolin-4-one has a molecular weight of 392.46 g/mol, XLogP of 2.06, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-8-methylquinazolin-4-one is sourced from PubChem (CID 38599623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).