3-ethyl-1-[2-oxo-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]quinazoline-2,4-dione

C24H25F3N4O3 — CID 42572847

IUPAC3-ethyl-1-[2-oxo-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]quinazoline-2,4-dione
SMILESCCn1c(=O)c2ccccc2n(CC(=O)N2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)c1=O
InChIInChI=1S/C24H25F3N4O3/c1-2-30-22(33)19-5-3-4-6-20(19)31(23(30)34)16-21(32)29-13-11-28(12-14-29)15-17-7-9-18(10-8-17)24(25,26)27/h3-10H,2,11-16H2,1H3
InChIKeyKZKUBLOSAXNDHT-UHFFFAOYSA-N
MW474.48 g/mol
LogP2.55
Rot. Bonds5

About 3-ethyl-1-[2-oxo-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]quinazoline-2,4-dione

3-ethyl-1-[2-oxo-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]quinazoline-2,4-dione (PubChem CID 42572847) has the molecular formula C24H25F3N4O3 and a molecular weight of 474.48 g/mol. Its IUPAC name is 3-ethyl-1-[2-oxo-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]quinazoline-2,4-dione.

Molecular Properties

Compound Name3-ethyl-1-[2-oxo-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]quinazoline-2,4-dione
PubChem CID42572847
Molecular FormulaC24H25F3N4O3
Molecular Weight474.48 g/mol
Exact Mass474.19
IUPAC Name3-ethyl-1-[2-oxo-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]quinazoline-2,4-dione
SMILESCCn1c(=O)c2ccccc2n(CC(=O)N2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)c1=O
InChIInChI=1S/C24H25F3N4O3/c1-2-30-22(33)19-5-3-4-6-20(19)31(23(30)34)16-21(32)29-13-11-28(12-14-29)15-17-7-9-18(10-8-17)24(25,26)27/h3-10H,2,11-16H2,1H3
InChIKeyKZKUBLOSAXNDHT-UHFFFAOYSA-N
XLogP2.55
TPSA67.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.48
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-ethyl-1-[2-oxo-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]quinazoline-2,4-dione 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

1-[2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-3-ethylquinazoline-2,4-dione
CID 55435124
3-ethyl-1-[2-oxo-2-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethyl]quinazoline-2,4-dione
CID 24608889
1-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-ethylquinazoline-2,4-dione
CID 26736777
1-[2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]-3-ethylbenzimidazol-2-one
CID 34564059
3-[2-oxo-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]-1,2,3-benzotriazin-4-one
CID 26787483
3-[(4-fluorophenyl)methyl]-1-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]quinazoline-2,4-dione
CID 46861002
1-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-3-[3-(trifluoromethyl)phenyl]sulfonylbenzimidazol-2-one
CID 42792778
3-(2-chlorophenyl)-1-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]quinazoline-2,4-dione
CID 42811335
1-[2-oxo-2-[4-[[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepan-1-yl]ethyl]pyridin-2-one
CID 78840368
(3R)-1-[2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetyl]pyrrolidine-3-carboxamide
CID 94512675
1-[2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-2-oxoethyl]-3-ethylquinazoline-2,4-dione
CID 9490062
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethanone
CID 37113340

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[2-oxo-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]quinazoline-2,4-dione?
The IUPAC name of 3-ethyl-1-[2-oxo-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]quinazoline-2,4-dione (CID 42572847) is 3-ethyl-1-[2-oxo-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]quinazoline-2,4-dione.
What is the SMILES notation for 3-ethyl-1-[2-oxo-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]quinazoline-2,4-dione?
The canonical SMILES for 3-ethyl-1-[2-oxo-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]quinazoline-2,4-dione is CCn1c(=O)c2ccccc2n(CC(=O)N2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)c1=O.
What is the InChIKey of 3-ethyl-1-[2-oxo-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]quinazoline-2,4-dione?
The InChIKey is KZKUBLOSAXNDHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N4O3/c1-2-30-22(33)19-5-3-4-6-20(19)31(23(30)34)16-21(32)29-13-11-28(12-14-29)15-17-7-9-18(10-8-17)24(25,26)27/h3-10H,2,11-16H2,1H3.
What are the key properties of 3-ethyl-1-[2-oxo-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]quinazoline-2,4-dione?
3-ethyl-1-[2-oxo-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]quinazoline-2,4-dione has a molecular weight of 474.48 g/mol, XLogP of 2.55, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[2-oxo-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]quinazoline-2,4-dione is sourced from PubChem (CID 42572847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).