2-ethyl-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]quinazolin-4-one

C22H23FN4O2 — CID 45030837

IUPAC2-ethyl-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]quinazolin-4-one
SMILESCCc1nc2ccccc2c(=O)n1CC(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C22H23FN4O2/c1-2-20-24-19-6-4-3-5-18(19)22(29)27(20)15-21(28)26-13-11-25(12-14-26)17-9-7-16(23)8-10-17/h3-10H,2,11-15H2,1H3
InChIKeyHCFMFSNNRPCVEI-UHFFFAOYSA-N
MW394.45 g/mol
LogP2.45
Rot. Bonds4

About 2-ethyl-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]quinazolin-4-one

2-ethyl-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]quinazolin-4-one (PubChem CID 45030837) has the molecular formula C22H23FN4O2 and a molecular weight of 394.45 g/mol. Its IUPAC name is 2-ethyl-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]quinazolin-4-one.

Molecular Properties

Compound Name2-ethyl-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]quinazolin-4-one
PubChem CID45030837
Molecular FormulaC22H23FN4O2
Molecular Weight394.45 g/mol
Exact Mass394.18
IUPAC Name2-ethyl-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]quinazolin-4-one
SMILESCCc1nc2ccccc2c(=O)n1CC(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C22H23FN4O2/c1-2-20-24-19-6-4-3-5-18(19)22(29)27(20)15-21(28)26-13-11-25(12-14-26)17-9-7-16(23)8-10-17/h3-10H,2,11-15H2,1H3
InChIKeyHCFMFSNNRPCVEI-UHFFFAOYSA-N
XLogP2.45
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]quinazolin-4-one?
The IUPAC name of 2-ethyl-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]quinazolin-4-one (CID 45030837) is 2-ethyl-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]quinazolin-4-one.
What is the SMILES notation for 2-ethyl-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]quinazolin-4-one?
The canonical SMILES for 2-ethyl-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]quinazolin-4-one is CCc1nc2ccccc2c(=O)n1CC(=O)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 2-ethyl-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]quinazolin-4-one?
The InChIKey is HCFMFSNNRPCVEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O2/c1-2-20-24-19-6-4-3-5-18(19)22(29)27(20)15-21(28)26-13-11-25(12-14-26)17-9-7-16(23)8-10-17/h3-10H,2,11-15H2,1H3.
What are the key properties of 2-ethyl-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]quinazolin-4-one?
2-ethyl-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]quinazolin-4-one has a molecular weight of 394.45 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]quinazolin-4-one is sourced from PubChem (CID 45030837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).