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

C21H21FN4O2 — CID 27006126

IUPAC3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-8-methylquinazolin-4-one
SMILESCc1cccc2c(=O)n(CC(=O)N3CCN(c4ccccc4F)CC3)cnc12
InChIInChI=1S/C21H21FN4O2/c1-15-5-4-6-16-20(15)23-14-26(21(16)28)13-19(27)25-11-9-24(10-12-25)18-8-3-2-7-17(18)22/h2-8,14H,9-13H2,1H3
InChIKeyIDICPBNRQCYFHC-UHFFFAOYSA-N
MW380.42 g/mol
LogP2.19
Rot. Bonds3

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

3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-8-methylquinazolin-4-one (PubChem CID 27006126) has the molecular formula C21H21FN4O2 and a molecular weight of 380.42 g/mol. Its IUPAC name is 3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-8-methylquinazolin-4-one.

Molecular Properties

Compound Name3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-8-methylquinazolin-4-one
PubChem CID27006126
Molecular FormulaC21H21FN4O2
Molecular Weight380.42 g/mol
Exact Mass380.16
IUPAC Name3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-8-methylquinazolin-4-one
SMILESCc1cccc2c(=O)n(CC(=O)N3CCN(c4ccccc4F)CC3)cnc12
InChIInChI=1S/C21H21FN4O2/c1-15-5-4-6-16-20(15)23-14-26(21(16)28)13-19(27)25-11-9-24(10-12-25)18-8-3-2-7-17(18)22/h2-8,14H,9-13H2,1H3
InChIKeyIDICPBNRQCYFHC-UHFFFAOYSA-N
XLogP2.19
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-8-methylquinazolin-4-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-[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-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-8-methylquinazolin-4-one
CID 60556980
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
5-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 17447658
3-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-8-methylquinazolin-4-one
CID 38599623
3-[2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]-8-methylquinazolin-4-one
CID 35374273
8-methyl-3-[2-oxo-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]ethyl]quinazolin-4-one
CID 43073607
1-(3,4-dimethylphenyl)-5-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 1433577
2-[4-[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 134061926
9-chloro-3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-[1]benzothiolo[3,2-d]pyrimidin-4-one
CID 27557470

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-8-methylquinazolin-4-one?
The IUPAC name of 3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-8-methylquinazolin-4-one (CID 27006126) is 3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-8-methylquinazolin-4-one.
What is the SMILES notation for 3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-8-methylquinazolin-4-one?
The canonical SMILES for 3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-8-methylquinazolin-4-one is Cc1cccc2c(=O)n(CC(=O)N3CCN(c4ccccc4F)CC3)cnc12.
What is the InChIKey of 3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-8-methylquinazolin-4-one?
The InChIKey is IDICPBNRQCYFHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O2/c1-15-5-4-6-16-20(15)23-14-26(21(16)28)13-19(27)25-11-9-24(10-12-25)18-8-3-2-7-17(18)22/h2-8,14H,9-13H2,1H3.
What are the key properties of 3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-8-methylquinazolin-4-one?
3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-8-methylquinazolin-4-one has a molecular weight of 380.42 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-8-methylquinazolin-4-one is sourced from PubChem (CID 27006126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).