4-(4-ethenylsulfonylpiperazin-1-yl)-6-phenylquinazoline

C20H20N4O2S — CID 164617942

IUPAC4-(4-ethenylsulfonylpiperazin-1-yl)-6-phenylquinazoline
SMILESC=CS(=O)(=O)N1CCN(c2ncnc3ccc(-c4ccccc4)cc23)CC1
InChIInChI=1S/C20H20N4O2S/c1-2-27(25,26)24-12-10-23(11-13-24)20-18-14-17(16-6-4-3-5-7-16)8-9-19(18)21-15-22-20/h2-9,14-15H,1,10-13H2
InChIKeyCZLRTWYKMXCADH-UHFFFAOYSA-N
MW380.47 g/mol
LogP2.89
Rot. Bonds4

About 4-(4-ethenylsulfonylpiperazin-1-yl)-6-phenylquinazoline

4-(4-ethenylsulfonylpiperazin-1-yl)-6-phenylquinazoline (PubChem CID 164617942) has the molecular formula C20H20N4O2S and a molecular weight of 380.47 g/mol. Its IUPAC name is 4-(4-ethenylsulfonylpiperazin-1-yl)-6-phenylquinazoline.

Molecular Properties

Compound Name4-(4-ethenylsulfonylpiperazin-1-yl)-6-phenylquinazoline
PubChem CID164617942
Molecular FormulaC20H20N4O2S
Molecular Weight380.47 g/mol
Exact Mass380.13
IUPAC Name4-(4-ethenylsulfonylpiperazin-1-yl)-6-phenylquinazoline
SMILESC=CS(=O)(=O)N1CCN(c2ncnc3ccc(-c4ccccc4)cc23)CC1
InChIInChI=1S/C20H20N4O2S/c1-2-27(25,26)24-12-10-23(11-13-24)20-18-14-17(16-6-4-3-5-7-16)8-9-19(18)21-15-22-20/h2-9,14-15H,1,10-13H2
InChIKeyCZLRTWYKMXCADH-UHFFFAOYSA-N
XLogP2.89
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-ethenylsulfonylpiperazin-1-yl)-6-phenylquinazoline?
The IUPAC name of 4-(4-ethenylsulfonylpiperazin-1-yl)-6-phenylquinazoline (CID 164617942) is 4-(4-ethenylsulfonylpiperazin-1-yl)-6-phenylquinazoline.
What is the SMILES notation for 4-(4-ethenylsulfonylpiperazin-1-yl)-6-phenylquinazoline?
The canonical SMILES for 4-(4-ethenylsulfonylpiperazin-1-yl)-6-phenylquinazoline is C=CS(=O)(=O)N1CCN(c2ncnc3ccc(-c4ccccc4)cc23)CC1.
What is the InChIKey of 4-(4-ethenylsulfonylpiperazin-1-yl)-6-phenylquinazoline?
The InChIKey is CZLRTWYKMXCADH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2S/c1-2-27(25,26)24-12-10-23(11-13-24)20-18-14-17(16-6-4-3-5-7-16)8-9-19(18)21-15-22-20/h2-9,14-15H,1,10-13H2.
What are the key properties of 4-(4-ethenylsulfonylpiperazin-1-yl)-6-phenylquinazoline?
4-(4-ethenylsulfonylpiperazin-1-yl)-6-phenylquinazoline has a molecular weight of 380.47 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethenylsulfonylpiperazin-1-yl)-6-phenylquinazoline is sourced from PubChem (CID 164617942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).