4-(4-benzylsulfonylpiperazin-1-yl)-5-fluoroquinazoline

C19H19FN4O2S — CID 60520728

IUPAC4-(4-benzylsulfonylpiperazin-1-yl)-5-fluoroquinazoline
SMILESO=S(=O)(Cc1ccccc1)N1CCN(c2ncnc3cccc(F)c23)CC1
InChIInChI=1S/C19H19FN4O2S/c20-16-7-4-8-17-18(16)19(22-14-21-17)23-9-11-24(12-10-23)27(25,26)13-15-5-2-1-3-6-15/h1-8,14H,9-13H2
InChIKeyQAZKABQIIQACMQ-UHFFFAOYSA-N
MW386.45 g/mol
LogP2.42
Rot. Bonds4

About 4-(4-benzylsulfonylpiperazin-1-yl)-5-fluoroquinazoline

4-(4-benzylsulfonylpiperazin-1-yl)-5-fluoroquinazoline (PubChem CID 60520728) has the molecular formula C19H19FN4O2S and a molecular weight of 386.45 g/mol. Its IUPAC name is 4-(4-benzylsulfonylpiperazin-1-yl)-5-fluoroquinazoline.

Molecular Properties

Compound Name4-(4-benzylsulfonylpiperazin-1-yl)-5-fluoroquinazoline
PubChem CID60520728
Molecular FormulaC19H19FN4O2S
Molecular Weight386.45 g/mol
Exact Mass386.12
IUPAC Name4-(4-benzylsulfonylpiperazin-1-yl)-5-fluoroquinazoline
SMILESO=S(=O)(Cc1ccccc1)N1CCN(c2ncnc3cccc(F)c23)CC1
InChIInChI=1S/C19H19FN4O2S/c20-16-7-4-8-17-18(16)19(22-14-21-17)23-9-11-24(12-10-23)27(25,26)13-15-5-2-1-3-6-15/h1-8,14H,9-13H2
InChIKeyQAZKABQIIQACMQ-UHFFFAOYSA-N
XLogP2.42
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-benzylsulfonylpiperazin-1-yl)-6-bromoquinazoline
CID 87020756
4-(4-benzylsulfonylpiperazin-1-yl)thieno[2,3-d]pyrimidine
CID 9109711
4-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-5-methylquinazoline
CID 133345227
1-benzylsulfonyl-4-(2-fluorophenyl)sulfonylpiperazine
CID 26527715
ethyl 5-[4-(5-fluoroquinazolin-4-yl)piperazin-1-yl]sulfonylfuran-2-carboxylate
CID 55854470
2-(4-benzylsulfonylpiperazin-1-yl)-3-phenylquinoxaline
CID 46093711
2-[4-(5-fluoroquinazolin-4-yl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 56816091
1-[4-(5-fluoroquinazolin-4-yl)piperazin-1-yl]-2-methoxyethanone
CID 56816161
4-(4-benzylsulfonylpiperazin-1-yl)-6-phenylpyrimidine
CID 20933367
4-(4-benzylsulfonylpiperazin-1-yl)-6-(4-methylpiperazin-1-yl)pyrimidine
CID 56922983
4-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-5-fluoroquinazoline
CID 55855492
2-(4-benzylsulfonylpiperazin-1-yl)quinoline-3-carbonitrile
CID 110348609

Frequently Asked Questions

What is the IUPAC name of 4-(4-benzylsulfonylpiperazin-1-yl)-5-fluoroquinazoline?
The IUPAC name of 4-(4-benzylsulfonylpiperazin-1-yl)-5-fluoroquinazoline (CID 60520728) is 4-(4-benzylsulfonylpiperazin-1-yl)-5-fluoroquinazoline.
What is the SMILES notation for 4-(4-benzylsulfonylpiperazin-1-yl)-5-fluoroquinazoline?
The canonical SMILES for 4-(4-benzylsulfonylpiperazin-1-yl)-5-fluoroquinazoline is O=S(=O)(Cc1ccccc1)N1CCN(c2ncnc3cccc(F)c23)CC1.
What is the InChIKey of 4-(4-benzylsulfonylpiperazin-1-yl)-5-fluoroquinazoline?
The InChIKey is QAZKABQIIQACMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O2S/c20-16-7-4-8-17-18(16)19(22-14-21-17)23-9-11-24(12-10-23)27(25,26)13-15-5-2-1-3-6-15/h1-8,14H,9-13H2.
What are the key properties of 4-(4-benzylsulfonylpiperazin-1-yl)-5-fluoroquinazoline?
4-(4-benzylsulfonylpiperazin-1-yl)-5-fluoroquinazoline has a molecular weight of 386.45 g/mol, XLogP of 2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzylsulfonylpiperazin-1-yl)-5-fluoroquinazoline is sourced from PubChem (CID 60520728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).