3-(2-chlorophenyl)-1-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]quinazoline-2,4-dione

C22H23ClN4O3 — CID 42811335

IUPAC3-(2-chlorophenyl)-1-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]quinazoline-2,4-dione
SMILESCCN1CCN(C(=O)Cn2c(=O)n(-c3ccccc3Cl)c(=O)c3ccccc32)CC1
InChIInChI=1S/C22H23ClN4O3/c1-2-24-11-13-25(14-12-24)20(28)15-26-18-9-5-3-7-16(18)21(29)27(22(26)30)19-10-6-4-8-17(19)23/h3-10H,2,11-15H2,1H3
InChIKeyXEZDUMLGULUHPA-UHFFFAOYSA-N
MW426.90 g/mol
LogP1.97
Rot. Bonds4

About 3-(2-chlorophenyl)-1-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]quinazoline-2,4-dione

3-(2-chlorophenyl)-1-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]quinazoline-2,4-dione (PubChem CID 42811335) has the molecular formula C22H23ClN4O3 and a molecular weight of 426.90 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-1-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]quinazoline-2,4-dione.

Molecular Properties

Compound Name3-(2-chlorophenyl)-1-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]quinazoline-2,4-dione
PubChem CID42811335
Molecular FormulaC22H23ClN4O3
Molecular Weight426.90 g/mol
Exact Mass426.15
IUPAC Name3-(2-chlorophenyl)-1-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]quinazoline-2,4-dione
SMILESCCN1CCN(C(=O)Cn2c(=O)n(-c3ccccc3Cl)c(=O)c3ccccc32)CC1
InChIInChI=1S/C22H23ClN4O3/c1-2-24-11-13-25(14-12-24)20(28)15-26-18-9-5-3-7-16(18)21(29)27(22(26)30)19-10-6-4-8-17(19)23/h3-10H,2,11-15H2,1H3
InChIKeyXEZDUMLGULUHPA-UHFFFAOYSA-N
XLogP1.97
TPSA67.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.90
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-ethylquinazoline-2,4-dione
CID 26736777
1-[2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-3-ethylquinazoline-2,4-dione
CID 55435124
1-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-methylbenzimidazol-2-one
CID 26014846
5-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-3-methylpyridazino[4,5-b]indol-4-one
CID 53043907
3-ethyl-1-[2-oxo-2-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]quinazoline-2,4-dione
CID 42572847
2-[3-(2-chlorophenyl)-2,4-dioxoquinazolin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 42811337
3-(4-ethylphenyl)-1-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]quinazoline-2,4-dione
CID 15995715
1-ethyl-3-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]-2-oxoethyl]benzimidazol-2-one
CID 31947890
1-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-3-(2-fluorophenyl)-6-methylquinazoline-2,4-dione
CID 71956020
3-(2,6-dichlorophenyl)-1-(4-ethylpiperazin-1-yl)propan-1-one
CID 100601115
1-(3-chlorophenyl)sulfonyl-3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]benzimidazol-2-one
CID 4211136
2-carbazol-9-yl-1-pyrrolidin-1-ylethanone
CID 67925935

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-1-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]quinazoline-2,4-dione?
The IUPAC name of 3-(2-chlorophenyl)-1-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]quinazoline-2,4-dione (CID 42811335) is 3-(2-chlorophenyl)-1-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]quinazoline-2,4-dione.
What is the SMILES notation for 3-(2-chlorophenyl)-1-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]quinazoline-2,4-dione?
The canonical SMILES for 3-(2-chlorophenyl)-1-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]quinazoline-2,4-dione is CCN1CCN(C(=O)Cn2c(=O)n(-c3ccccc3Cl)c(=O)c3ccccc32)CC1.
What is the InChIKey of 3-(2-chlorophenyl)-1-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]quinazoline-2,4-dione?
The InChIKey is XEZDUMLGULUHPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O3/c1-2-24-11-13-25(14-12-24)20(28)15-26-18-9-5-3-7-16(18)21(29)27(22(26)30)19-10-6-4-8-17(19)23/h3-10H,2,11-15H2,1H3.
What are the key properties of 3-(2-chlorophenyl)-1-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]quinazoline-2,4-dione?
3-(2-chlorophenyl)-1-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]quinazoline-2,4-dione has a molecular weight of 426.90 g/mol, XLogP of 1.97, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-1-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]quinazoline-2,4-dione is sourced from PubChem (CID 42811335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).