1-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-3-(2-fluorophenyl)-6-methylquinazoline-2,4-dione

C23H23FN4O4 — CID 71956020

IUPAC1-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-3-(2-fluorophenyl)-6-methylquinazoline-2,4-dione
SMILESCC(=O)N1CCN(C(=O)Cn2c(=O)n(-c3ccccc3F)c(=O)c3cc(C)ccc32)CC1
InChIInChI=1S/C23H23FN4O4/c1-15-7-8-19-17(13-15)22(31)28(20-6-4-3-5-18(20)24)23(32)27(19)14-21(30)26-11-9-25(10-12-26)16(2)29/h3-8,13H,9-12,14H2,1-2H3
InChIKeyDBAGIJAYRGQUJJ-UHFFFAOYSA-N
MW438.46 g/mol
LogP1.29
Rot. Bonds3

About 1-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-3-(2-fluorophenyl)-6-methylquinazoline-2,4-dione

1-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-3-(2-fluorophenyl)-6-methylquinazoline-2,4-dione (PubChem CID 71956020) has the molecular formula C23H23FN4O4 and a molecular weight of 438.46 g/mol. Its IUPAC name is 1-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-3-(2-fluorophenyl)-6-methylquinazoline-2,4-dione.

Molecular Properties

Compound Name1-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-3-(2-fluorophenyl)-6-methylquinazoline-2,4-dione
PubChem CID71956020
Molecular FormulaC23H23FN4O4
Molecular Weight438.46 g/mol
Exact Mass438.17
IUPAC Name1-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-3-(2-fluorophenyl)-6-methylquinazoline-2,4-dione
SMILESCC(=O)N1CCN(C(=O)Cn2c(=O)n(-c3ccccc3F)c(=O)c3cc(C)ccc32)CC1
InChIInChI=1S/C23H23FN4O4/c1-15-7-8-19-17(13-15)22(31)28(20-6-4-3-5-18(20)24)23(32)27(19)14-21(30)26-11-9-25(10-12-26)16(2)29/h3-8,13H,9-12,14H2,1-2H3
InChIKeyDBAGIJAYRGQUJJ-UHFFFAOYSA-N
XLogP1.29
TPSA84.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.46
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-3-(2-fluorophenyl)-6-methylquinazoline-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

3-(4-acetylphenyl)-6-methyl-1-(2-morpholin-4-yl-2-oxoethyl)quinazoline-2,4-dione
CID 71957572
1-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-7-chloro-3-(2,4-difluorophenyl)quinazoline-2,4-dione
CID 71830271
3-(4-methoxyphenyl)-6-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)quinazoline-2,4-dione
CID 71956372
6-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)-3-propylquinazoline-2,4-dione
CID 71956368
2-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-3-methylisoquinolin-1-one
CID 5058983
3-(2-chlorophenyl)-1-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]quinazoline-2,4-dione
CID 42811335
2-[3-(2-chlorophenyl)-6-methyl-2,4-dioxoquinazolin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 71956406
2-[3-(2,3-dimethylphenyl)-6-methyl-2,4-dioxoquinazolin-1-yl]-N-(2-methoxyethyl)acetamide
CID 71954955
7-chloro-3-(2,4-difluorophenyl)-1-(2-morpholin-4-yl-2-oxoethyl)quinazoline-2,4-dione
CID 42811198
2-(2,5-dimethylphenyl)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 92681315
N-(furan-2-ylmethyl)-2-[3-(2-methoxyphenyl)-6-methyl-2,4-dioxoquinazolin-1-yl]acetamide
CID 71959422
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(6-methyl-1-benzofuran-3-yl)ethanone
CID 18872277

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-3-(2-fluorophenyl)-6-methylquinazoline-2,4-dione?
The IUPAC name of 1-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-3-(2-fluorophenyl)-6-methylquinazoline-2,4-dione (CID 71956020) is 1-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-3-(2-fluorophenyl)-6-methylquinazoline-2,4-dione.
What is the SMILES notation for 1-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-3-(2-fluorophenyl)-6-methylquinazoline-2,4-dione?
The canonical SMILES for 1-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-3-(2-fluorophenyl)-6-methylquinazoline-2,4-dione is CC(=O)N1CCN(C(=O)Cn2c(=O)n(-c3ccccc3F)c(=O)c3cc(C)ccc32)CC1.
What is the InChIKey of 1-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-3-(2-fluorophenyl)-6-methylquinazoline-2,4-dione?
The InChIKey is DBAGIJAYRGQUJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O4/c1-15-7-8-19-17(13-15)22(31)28(20-6-4-3-5-18(20)24)23(32)27(19)14-21(30)26-11-9-25(10-12-26)16(2)29/h3-8,13H,9-12,14H2,1-2H3.
What are the key properties of 1-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-3-(2-fluorophenyl)-6-methylquinazoline-2,4-dione?
1-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-3-(2-fluorophenyl)-6-methylquinazoline-2,4-dione has a molecular weight of 438.46 g/mol, XLogP of 1.29, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-3-(2-fluorophenyl)-6-methylquinazoline-2,4-dione is sourced from PubChem (CID 71956020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).