ethyl 4-[2-[4-(2,4-dioxo-1H-quinazolin-3-yl)phenyl]acetyl]piperazine-1-carboxylate

C23H24N4O5 — CID 3238846

IUPACethyl 4-[2-[4-(2,4-dioxo-1H-quinazolin-3-yl)phenyl]acetyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)Cc2ccc(-n3c(=O)[nH]c4ccccc4c3=O)cc2)CC1
InChIInChI=1S/C23H24N4O5/c1-2-32-23(31)26-13-11-25(12-14-26)20(28)15-16-7-9-17(10-8-16)27-21(29)18-5-3-4-6-19(18)24-22(27)30/h3-10H,2,11-15H2,1H3,(H,24,30)
InChIKeyZSLIMJLPYOKAII-UHFFFAOYSA-N
MW436.47 g/mol
LogP1.52
Rot. Bonds4

About ethyl 4-[2-[4-(2,4-dioxo-1H-quinazolin-3-yl)phenyl]acetyl]piperazine-1-carboxylate

ethyl 4-[2-[4-(2,4-dioxo-1H-quinazolin-3-yl)phenyl]acetyl]piperazine-1-carboxylate (PubChem CID 3238846) has the molecular formula C23H24N4O5 and a molecular weight of 436.47 g/mol. Its IUPAC name is ethyl 4-[2-[4-(2,4-dioxo-1H-quinazolin-3-yl)phenyl]acetyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-[4-(2,4-dioxo-1H-quinazolin-3-yl)phenyl]acetyl]piperazine-1-carboxylate
PubChem CID3238846
Molecular FormulaC23H24N4O5
Molecular Weight436.47 g/mol
Exact Mass436.17
IUPAC Nameethyl 4-[2-[4-(2,4-dioxo-1H-quinazolin-3-yl)phenyl]acetyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)Cc2ccc(-n3c(=O)[nH]c4ccccc4c3=O)cc2)CC1
InChIInChI=1S/C23H24N4O5/c1-2-32-23(31)26-13-11-25(12-14-26)20(28)15-16-7-9-17(10-8-16)27-21(29)18-5-3-4-6-19(18)24-22(27)30/h3-10H,2,11-15H2,1H3,(H,24,30)
InChIKeyZSLIMJLPYOKAII-UHFFFAOYSA-N
XLogP1.52
TPSA104.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.47
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(2,4-dioxo-1H-quinazolin-3-yl)phenyl]-N-propan-2-ylacetamide
CID 4075223
ethyl 4-[2-(2-methyl-1H-indol-3-yl)acetyl]piperazine-1-carboxylate
CID 31899581
N-butyl-2-[4-(2,4-dioxo-1H-quinazolin-3-yl)phenyl]acetamide
CID 3600020
ethyl 4-[2-(4-ethylphenyl)acetyl]piperazine-1-carboxylate
CID 99623799
ethane;3-(4-methylphenyl)-1H-quinazoline-2,4-dione
CID 91492397
ethyl 4-[2-[[3-(4-fluorophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]acetyl]piperazine-1-carboxylate
CID 4096777
ethyl 4-[2-(4-ethoxyphenyl)acetyl]piperazine-1-carboxylate
CID 78784884
3-(4-aminophenyl)-1H-quinazoline-2,4-dione;ethane
CID 91428000
[2-(4-ethoxycarbonylpiperazin-1-yl)-2-oxoethyl] 1H-indole-3-carboxylate
CID 7888926
3-[4-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]phenyl]-2-sulfanylidene-1H-quinazolin-4-one
CID 4163351
ethyl 4-[2-(4-oxo-3H-phthalazin-1-yl)acetyl]piperazine-1-carboxylate
CID 2678381
ethyl 4-[2-(4-ethoxyphenyl)acetyl]-1,4-diazepane-1-carboxylate
CID 110808925

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-[4-(2,4-dioxo-1H-quinazolin-3-yl)phenyl]acetyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[2-[4-(2,4-dioxo-1H-quinazolin-3-yl)phenyl]acetyl]piperazine-1-carboxylate (CID 3238846) is ethyl 4-[2-[4-(2,4-dioxo-1H-quinazolin-3-yl)phenyl]acetyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-[4-(2,4-dioxo-1H-quinazolin-3-yl)phenyl]acetyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-[4-(2,4-dioxo-1H-quinazolin-3-yl)phenyl]acetyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)Cc2ccc(-n3c(=O)[nH]c4ccccc4c3=O)cc2)CC1.
What is the InChIKey of ethyl 4-[2-[4-(2,4-dioxo-1H-quinazolin-3-yl)phenyl]acetyl]piperazine-1-carboxylate?
The InChIKey is ZSLIMJLPYOKAII-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O5/c1-2-32-23(31)26-13-11-25(12-14-26)20(28)15-16-7-9-17(10-8-16)27-21(29)18-5-3-4-6-19(18)24-22(27)30/h3-10H,2,11-15H2,1H3,(H,24,30).
What are the key properties of ethyl 4-[2-[4-(2,4-dioxo-1H-quinazolin-3-yl)phenyl]acetyl]piperazine-1-carboxylate?
ethyl 4-[2-[4-(2,4-dioxo-1H-quinazolin-3-yl)phenyl]acetyl]piperazine-1-carboxylate has a molecular weight of 436.47 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-[4-(2,4-dioxo-1H-quinazolin-3-yl)phenyl]acetyl]piperazine-1-carboxylate is sourced from PubChem (CID 3238846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).