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

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Related Compounds

4-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-5-methylquinazoline
CID 133345278
4-(4-benzylsulfonylpiperazin-1-yl)-5-fluoroquinazoline
CID 60520728
ethyl 5-[4-(5-fluoroquinazolin-4-yl)piperazin-1-yl]sulfonylfuran-2-carboxylate
CID 55854470
4-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-7-amine
CID 133407155
2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-3-phenylquinoxaline
CID 46093769
4-[4-(3-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]thieno[3,2-d]pyrimidine
CID 126773636
4-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-7-(4-methoxyphenyl)-5-phenylpyrrolo[2,3-d]pyrimidine
CID 163347332
1-(2,6-dimethylphenyl)-4-(2-fluorophenyl)sulfonylpiperazine
CID 5012297
ethyl 3-[4-(2,6-difluorophenyl)sulfonyl-1,4-diazepan-1-yl]quinoxaline-2-carboxylate
CID 46093772
4-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-6-methylthieno[2,3-d]pyrimidine
CID 133407413
1-[4-(5-fluoroquinazolin-4-yl)piperazin-1-yl]-2-methoxyethanone
CID 56816161
2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-4-(2,3-dimethylphenyl)-1,3-thiazole;2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-4-(2,6-dimethylphenyl)-1,3-thiazole
CID 157259896

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).