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

C16H18N6O4S — CID 120894588

IUPAC6-[2-(1-methylimidazol-2-yl)piperazin-1-yl]sulfonyl-1H-quinazoline-2,4-dione
SMILESCn1ccnc1C1CNCCN1S(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1
InChIInChI=1S/C16H18N6O4S/c1-21-6-5-18-14(21)13-9-17-4-7-22(13)27(25,26)10-2-3-12-11(8-10)15(23)20-16(24)19-12/h2-3,5-6,8,13,17H,4,7,9H2,1H3,(H2,19,20,23,24)
InChIKeyKUODPTWZMZAPKY-UHFFFAOYSA-N
MW390.43 g/mol
LogP-0.71
Rot. Bonds3

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

6-[2-(1-methylimidazol-2-yl)piperazin-1-yl]sulfonyl-1H-quinazoline-2,4-dione (PubChem CID 120894588) has the molecular formula C16H18N6O4S and a molecular weight of 390.43 g/mol. Its IUPAC name is 6-[2-(1-methylimidazol-2-yl)piperazin-1-yl]sulfonyl-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name6-[2-(1-methylimidazol-2-yl)piperazin-1-yl]sulfonyl-1H-quinazoline-2,4-dione
PubChem CID120894588
Molecular FormulaC16H18N6O4S
Molecular Weight390.43 g/mol
Exact Mass390.11
IUPAC Name6-[2-(1-methylimidazol-2-yl)piperazin-1-yl]sulfonyl-1H-quinazoline-2,4-dione
SMILESCn1ccnc1C1CNCCN1S(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1
InChIInChI=1S/C16H18N6O4S/c1-21-6-5-18-14(21)13-9-17-4-7-22(13)27(25,26)10-2-3-12-11(8-10)15(23)20-16(24)19-12/h2-3,5-6,8,13,17H,4,7,9H2,1H3,(H2,19,20,23,24)
InChIKeyKUODPTWZMZAPKY-UHFFFAOYSA-N
XLogP-0.71
TPSA132.95 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.43
LogP ≤ 5-0.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

1-(3,4-difluorophenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine
CID 120894696
6-(2-methylpiperazin-1-yl)sulfonyl-1H-quinazoline-2,4-dione
CID 119969859
1-(3-bromo-4-methylphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine
CID 120894630
1-(4-ethylphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120895239
1-(3-fluoro-4-methoxyphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120894875
3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]sulfonylbenzonitrile
CID 120894798
1-(4-ethoxyphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120894665
1-(3-fluoro-5-methylphenyl)sulfonyl-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120894523
2-chloro-5-[2-(1-methylimidazol-2-yl)piperazin-1-yl]sulfonylbenzonitrile;hydrochloride
CID 120895229
1-[(2,2-dimethyl-3H-1-benzofuran-5-yl)sulfonyl]-2-(1-methylimidazol-2-yl)piperazine
CID 120894426
methyl 2-methyl-4-[2-(1-methylimidazol-2-yl)piperazin-1-yl]sulfonylbenzoate
CID 120895152
2-(1-methylimidazol-2-yl)-1-(3-methyl-4-propan-2-yloxyphenyl)sulfonylpiperazine;hydrochloride
CID 120895131

Frequently Asked Questions

What is the IUPAC name of 6-[2-(1-methylimidazol-2-yl)piperazin-1-yl]sulfonyl-1H-quinazoline-2,4-dione?
The IUPAC name of 6-[2-(1-methylimidazol-2-yl)piperazin-1-yl]sulfonyl-1H-quinazoline-2,4-dione (CID 120894588) is 6-[2-(1-methylimidazol-2-yl)piperazin-1-yl]sulfonyl-1H-quinazoline-2,4-dione.
What is the SMILES notation for 6-[2-(1-methylimidazol-2-yl)piperazin-1-yl]sulfonyl-1H-quinazoline-2,4-dione?
The canonical SMILES for 6-[2-(1-methylimidazol-2-yl)piperazin-1-yl]sulfonyl-1H-quinazoline-2,4-dione is Cn1ccnc1C1CNCCN1S(=O)(=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1.
What is the InChIKey of 6-[2-(1-methylimidazol-2-yl)piperazin-1-yl]sulfonyl-1H-quinazoline-2,4-dione?
The InChIKey is KUODPTWZMZAPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O4S/c1-21-6-5-18-14(21)13-9-17-4-7-22(13)27(25,26)10-2-3-12-11(8-10)15(23)20-16(24)19-12/h2-3,5-6,8,13,17H,4,7,9H2,1H3,(H2,19,20,23,24).
What are the key properties of 6-[2-(1-methylimidazol-2-yl)piperazin-1-yl]sulfonyl-1H-quinazoline-2,4-dione?
6-[2-(1-methylimidazol-2-yl)piperazin-1-yl]sulfonyl-1H-quinazoline-2,4-dione has a molecular weight of 390.43 g/mol, XLogP of -0.71, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(1-methylimidazol-2-yl)piperazin-1-yl]sulfonyl-1H-quinazoline-2,4-dione is sourced from PubChem (CID 120894588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).