5,6,7-trimethoxy-4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]quinazoline

C22H26N4O6S — CID 71622340

IUPAC5,6,7-trimethoxy-4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]quinazoline
SMILESCOc1ccc(S(=O)(=O)N2CCN(c3ncnc4cc(OC)c(OC)c(OC)c34)CC2)cc1
InChIInChI=1S/C22H26N4O6S/c1-29-15-5-7-16(8-6-15)33(27,28)26-11-9-25(10-12-26)22-19-17(23-14-24-22)13-18(30-2)20(31-3)21(19)32-4/h5-8,13-14H,9-12H2,1-4H3
InChIKeyLURQMKBNQQUOCY-UHFFFAOYSA-N
MW474.54 g/mol
LogP2.18
Rot. Bonds7

About 5,6,7-trimethoxy-4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]quinazoline

5,6,7-trimethoxy-4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]quinazoline (PubChem CID 71622340) has the molecular formula C22H26N4O6S and a molecular weight of 474.54 g/mol. Its IUPAC name is 5,6,7-trimethoxy-4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]quinazoline.

Molecular Properties

Compound Name5,6,7-trimethoxy-4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]quinazoline
PubChem CID71622340
Molecular FormulaC22H26N4O6S
Molecular Weight474.54 g/mol
Exact Mass474.16
IUPAC Name5,6,7-trimethoxy-4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]quinazoline
SMILESCOc1ccc(S(=O)(=O)N2CCN(c3ncnc4cc(OC)c(OC)c(OC)c34)CC2)cc1
InChIInChI=1S/C22H26N4O6S/c1-29-15-5-7-16(8-6-15)33(27,28)26-11-9-25(10-12-26)22-19-17(23-14-24-22)13-18(30-2)20(31-3)21(19)32-4/h5-8,13-14H,9-12H2,1-4H3
InChIKeyLURQMKBNQQUOCY-UHFFFAOYSA-N
XLogP2.18
TPSA103.32 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.54
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

5,6,7-trimethoxy-4-[4-(3-methoxyphenyl)piperazin-1-yl]quinazoline
CID 71622474
6-ethyl-4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]thieno[2,3-d]pyrimidine
CID 31538355
7-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-2-methyl-[1,3]oxazolo[5,4-d]pyrimidine
CID 72914989
4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidine
CID 108781304
4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyrimidine
CID 56921805
1-(4-methoxyphenyl)sulfonyl-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine
CID 998107
4-(4-methoxyphenyl)-6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyrimidine
CID 90517128
7-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-3-phenyltriazolo[4,5-d]pyrimidine
CID 26844862
4-[4-(benzenesulfonyl)piperazin-1-yl]-2-cyclopentyl-6,7-dimethoxyquinazoline
CID 171989287
1-(2,4-dimethoxyphenyl)sulfonyl-4-(4-methoxyphenyl)sulfonylpiperazine
CID 19684107
1-(4-methoxyphenyl)sulfonyl-4-(3-nitro-2-pyridinyl)piperazine
CID 9111511
4-imidazol-1-yl-6-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]pyrimidine
CID 56700031

Frequently Asked Questions

What is the IUPAC name of 5,6,7-trimethoxy-4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]quinazoline?
The IUPAC name of 5,6,7-trimethoxy-4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]quinazoline (CID 71622340) is 5,6,7-trimethoxy-4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]quinazoline.
What is the SMILES notation for 5,6,7-trimethoxy-4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]quinazoline?
The canonical SMILES for 5,6,7-trimethoxy-4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]quinazoline is COc1ccc(S(=O)(=O)N2CCN(c3ncnc4cc(OC)c(OC)c(OC)c34)CC2)cc1.
What is the InChIKey of 5,6,7-trimethoxy-4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]quinazoline?
The InChIKey is LURQMKBNQQUOCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O6S/c1-29-15-5-7-16(8-6-15)33(27,28)26-11-9-25(10-12-26)22-19-17(23-14-24-22)13-18(30-2)20(31-3)21(19)32-4/h5-8,13-14H,9-12H2,1-4H3.
What are the key properties of 5,6,7-trimethoxy-4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]quinazoline?
5,6,7-trimethoxy-4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]quinazoline has a molecular weight of 474.54 g/mol, XLogP of 2.18, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7-trimethoxy-4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]quinazoline is sourced from PubChem (CID 71622340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).