6-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]sulfonyl-1H-quinazoline-2,4-dione

C21H24N4O5S — CID 55559273

IUPAC6-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]sulfonyl-1H-quinazoline-2,4-dione
SMILESCCOc1ccc(CN2CCN(S(=O)(=O)c3ccc4[nH]c(=O)[nH]c(=O)c4c3)CC2)cc1
InChIInChI=1S/C21H24N4O5S/c1-2-30-16-5-3-15(4-6-16)14-24-9-11-25(12-10-24)31(28,29)17-7-8-19-18(13-17)20(26)23-21(27)22-19/h3-8,13H,2,9-12,14H2,1H3,(H2,22,23,26,27)
InChIKeyGFBILGSMUALMPF-UHFFFAOYSA-N
MW444.51 g/mol
LogP1.12
Rot. Bonds6

About 6-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]sulfonyl-1H-quinazoline-2,4-dione

6-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]sulfonyl-1H-quinazoline-2,4-dione (PubChem CID 55559273) has the molecular formula C21H24N4O5S and a molecular weight of 444.51 g/mol. Its IUPAC name is 6-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]sulfonyl-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name6-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]sulfonyl-1H-quinazoline-2,4-dione
PubChem CID55559273
Molecular FormulaC21H24N4O5S
Molecular Weight444.51 g/mol
Exact Mass444.15
IUPAC Name6-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]sulfonyl-1H-quinazoline-2,4-dione
SMILESCCOc1ccc(CN2CCN(S(=O)(=O)c3ccc4[nH]c(=O)[nH]c(=O)c4c3)CC2)cc1
InChIInChI=1S/C21H24N4O5S/c1-2-30-16-5-3-15(4-6-16)14-24-9-11-25(12-10-24)31(28,29)17-7-8-19-18(13-17)20(26)23-21(27)22-19/h3-8,13H,2,9-12,14H2,1H3,(H2,22,23,26,27)
InChIKeyGFBILGSMUALMPF-UHFFFAOYSA-N
XLogP1.12
TPSA115.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.51
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]sulfonyl-1H-quinazoline-2,4-dione with MolForge

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Related Compounds

1-(4-ethoxyphenyl)sulfonyl-4-[(4-methoxyphenyl)methyl]piperazine
CID 38253871
5-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one
CID 110398734
1-[(3-chlorophenyl)methyl]-4-(4-ethoxyphenyl)sulfonylpiperazine
CID 8746856
1-(benzenesulfonyl)-4-[(4-ethoxyphenyl)methyl]piperazine;oxalic acid
CID 17365974
1-[(4-ethoxyphenyl)methyl]-4-methylsulfonylpiperazine
CID 2881274
1-(1,3-benzodioxol-5-ylmethyl)-4-(4-ethoxyphenyl)sulfonylpiperazine
CID 1085687
1-(4-ethoxyphenyl)sulfonyl-4-[(3-fluorophenyl)methyl]piperazine;hydrochloride
CID 17338187
6-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]sulfonyl-1H-quinazoline-2,4-dione
CID 55627740
6-[4-(cyclopropylmethylamino)piperidin-1-yl]sulfonyl-1H-quinazoline-2,4-dione
CID 119987604
N-[4-(morpholin-4-ylmethyl)phenyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide
CID 91819596
6-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]sulfonyl-1H-quinazoline-2,4-dione
CID 55559177
1-(4-ethoxyphenyl)sulfonyl-4-methylsulfonylpiperazine
CID 2448017

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]sulfonyl-1H-quinazoline-2,4-dione?
The IUPAC name of 6-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]sulfonyl-1H-quinazoline-2,4-dione (CID 55559273) is 6-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]sulfonyl-1H-quinazoline-2,4-dione.
What is the SMILES notation for 6-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]sulfonyl-1H-quinazoline-2,4-dione?
The canonical SMILES for 6-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]sulfonyl-1H-quinazoline-2,4-dione is CCOc1ccc(CN2CCN(S(=O)(=O)c3ccc4[nH]c(=O)[nH]c(=O)c4c3)CC2)cc1.
What is the InChIKey of 6-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]sulfonyl-1H-quinazoline-2,4-dione?
The InChIKey is GFBILGSMUALMPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O5S/c1-2-30-16-5-3-15(4-6-16)14-24-9-11-25(12-10-24)31(28,29)17-7-8-19-18(13-17)20(26)23-21(27)22-19/h3-8,13H,2,9-12,14H2,1H3,(H2,22,23,26,27).
What are the key properties of 6-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]sulfonyl-1H-quinazoline-2,4-dione?
6-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]sulfonyl-1H-quinazoline-2,4-dione has a molecular weight of 444.51 g/mol, XLogP of 1.12, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]sulfonyl-1H-quinazoline-2,4-dione is sourced from PubChem (CID 55559273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).