6-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]sulfonyl-1H-quinazoline-2,4-dione

C18H25N5O7S2 — CID 55627740

IUPAC6-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]sulfonyl-1H-quinazoline-2,4-dione
SMILESCC1CN(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc4[nH]c(=O)[nH]c(=O)c4c3)CC2)CC(C)O1
InChIInChI=1S/C18H25N5O7S2/c1-12-10-23(11-13(2)30-12)32(28,29)22-7-5-21(6-8-22)31(26,27)14-3-4-16-15(9-14)17(24)20-18(25)19-16/h3-4,9,12-13H,5-8,10-11H2,1-2H3,(H2,19,20,24,25)
InChIKeyRESQYKJWEZEPFD-UHFFFAOYSA-N
MW487.56 g/mol
LogP-1.12
Rot. Bonds4

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

6-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]sulfonyl-1H-quinazoline-2,4-dione (PubChem CID 55627740) has the molecular formula C18H25N5O7S2 and a molecular weight of 487.56 g/mol. Its IUPAC name is 6-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]sulfonyl-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name6-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]sulfonyl-1H-quinazoline-2,4-dione
PubChem CID55627740
Molecular FormulaC18H25N5O7S2
Molecular Weight487.56 g/mol
Exact Mass487.12
IUPAC Name6-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]sulfonyl-1H-quinazoline-2,4-dione
SMILESCC1CN(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc4[nH]c(=O)[nH]c(=O)c4c3)CC2)CC(C)O1
InChIInChI=1S/C18H25N5O7S2/c1-12-10-23(11-13(2)30-12)32(28,29)22-7-5-21(6-8-22)31(26,27)14-3-4-16-15(9-14)17(24)20-18(25)19-16/h3-4,9,12-13H,5-8,10-11H2,1-2H3,(H2,19,20,24,25)
InChIKeyRESQYKJWEZEPFD-UHFFFAOYSA-N
XLogP-1.12
TPSA152.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.56
LogP ≤ 5-1.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]sulfonyl-1H-quinazoline-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

6-(2-methylpiperazin-1-yl)sulfonyl-1H-quinazoline-2,4-dione
CID 119969859
6-[(2S,4S)-4-amino-2-methylpiperidin-1-yl]sulfonyl-1H-quinazoline-2,4-dione
CID 124692940
6-(2,6-dimethylmorpholin-4-yl)sulfonyl-4-(trifluoromethyl)-1H-quinolin-2-one
CID 22055340
6-[4-(cyclopropylmethylamino)piperidin-1-yl]sulfonyl-1H-quinazoline-2,4-dione
CID 119987604
6-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]sulfonyl-1H-quinazoline-2,4-dione
CID 55559177
6-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]sulfonyl-1H-quinazoline-2,4-dione
CID 55559273
N-[4-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]sulfonylphenyl]acetamide
CID 43063026
4-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]sulfonyl-N-methylbenzamide
CID 43066002
6-[(5,7-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)sulfonyl]-1H-quinazoline-2,4-dione
CID 154862834
6-[(3-oxo-2-propan-2-yl-1,4-diazepan-1-yl)sulfonyl]-1H-quinazoline-2,4-dione
CID 167808652
6-[(3R)-3-pyridin-3-yloxypyrrolidin-1-yl]sulfonyl-1H-quinazoline-2,4-dione
CID 129325738
4-[4-(5-chloro-2-methylphenyl)sulfonylpiperazin-1-yl]sulfonyl-2,6-dimethylmorpholine
CID 55627500

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]sulfonyl-1H-quinazoline-2,4-dione?
The IUPAC name of 6-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]sulfonyl-1H-quinazoline-2,4-dione (CID 55627740) is 6-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]sulfonyl-1H-quinazoline-2,4-dione.
What is the SMILES notation for 6-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]sulfonyl-1H-quinazoline-2,4-dione?
The canonical SMILES for 6-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]sulfonyl-1H-quinazoline-2,4-dione is CC1CN(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc4[nH]c(=O)[nH]c(=O)c4c3)CC2)CC(C)O1.
What is the InChIKey of 6-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]sulfonyl-1H-quinazoline-2,4-dione?
The InChIKey is RESQYKJWEZEPFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O7S2/c1-12-10-23(11-13(2)30-12)32(28,29)22-7-5-21(6-8-22)31(26,27)14-3-4-16-15(9-14)17(24)20-18(25)19-16/h3-4,9,12-13H,5-8,10-11H2,1-2H3,(H2,19,20,24,25).
What are the key properties of 6-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]sulfonyl-1H-quinazoline-2,4-dione?
6-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]sulfonyl-1H-quinazoline-2,4-dione has a molecular weight of 487.56 g/mol, XLogP of -1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]sulfonyl-1H-quinazoline-2,4-dione is sourced from PubChem (CID 55627740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).