4-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-5-methylquinazoline

C19H18F2N4O2S — CID 133345227

IUPAC4-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-5-methylquinazoline
SMILESCc1cccc2ncnc(N3CCN(S(=O)(=O)c4c(F)cccc4F)CC3)c12
InChIInChI=1S/C19H18F2N4O2S/c1-13-4-2-7-16-17(13)19(23-12-22-16)24-8-10-25(11-9-24)28(26,27)18-14(20)5-3-6-15(18)21/h2-7,12H,8-11H2,1H3
InChIKeyOKMVRUFMZDILSZ-UHFFFAOYSA-N
MW404.44 g/mol
LogP2.73
Rot. Bonds3

About 4-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-5-methylquinazoline

4-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-5-methylquinazoline (PubChem CID 133345227) has the molecular formula C19H18F2N4O2S and a molecular weight of 404.44 g/mol. Its IUPAC name is 4-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-5-methylquinazoline.

Molecular Properties

Compound Name4-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-5-methylquinazoline
PubChem CID133345227
Molecular FormulaC19H18F2N4O2S
Molecular Weight404.44 g/mol
Exact Mass404.11
IUPAC Name4-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-5-methylquinazoline
SMILESCc1cccc2ncnc(N3CCN(S(=O)(=O)c4c(F)cccc4F)CC3)c12
InChIInChI=1S/C19H18F2N4O2S/c1-13-4-2-7-16-17(13)19(23-12-22-16)24-8-10-25(11-9-24)28(26,27)18-14(20)5-3-6-15(18)21/h2-7,12H,8-11H2,1H3
InChIKeyOKMVRUFMZDILSZ-UHFFFAOYSA-N
XLogP2.73
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.44
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-5-methylquinazoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-5-methylquinazoline?
The IUPAC name of 4-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-5-methylquinazoline (CID 133345227) is 4-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-5-methylquinazoline.
What is the SMILES notation for 4-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-5-methylquinazoline?
The canonical SMILES for 4-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-5-methylquinazoline is Cc1cccc2ncnc(N3CCN(S(=O)(=O)c4c(F)cccc4F)CC3)c12.
What is the InChIKey of 4-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-5-methylquinazoline?
The InChIKey is OKMVRUFMZDILSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N4O2S/c1-13-4-2-7-16-17(13)19(23-12-22-16)24-8-10-25(11-9-24)28(26,27)18-14(20)5-3-6-15(18)21/h2-7,12H,8-11H2,1H3.
What are the key properties of 4-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-5-methylquinazoline?
4-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-5-methylquinazoline has a molecular weight of 404.44 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-5-methylquinazoline is sourced from PubChem (CID 133345227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).