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

Analyze 4-(4-ethenylsulfonylpiperazin-1-yl)-6-phenylquinazoline with MolForge

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

Launch Full Analysis

Related Compounds

4-(4-Methyl-1-piperazinyl)-2-phenylquinazoline
CID 454717
N-[(5P)-2-chloro-5-(4-{[(1R)-1-phenylethyl]amino}quinazolin-6-yl)pyridin-3-yl]methanesulfonamide
CID 164809124
4-(4-Methylpiperazin-1-yl)quinazoline
CID 21029584
6-Phenyl-4-quinazolinamine
CID 90054733
4-[4-(2,5-Difluorophenyl)sulfonylpiperazin-1-yl]quinazoline
CID 9207874
N,N-Dimethyl-C-[4-(4-phenylamino-quinazolin-2-ylamino)-phenyl]-methanesulfonamide
CID 44271542
4-amino-6-[[(1S)-1-[6-fluoro-4-(2-methylsulfonylethylamino)-3-phenylquinolin-2-yl]ethyl]amino]pyrimidine-5-carbonitrile
CID 49872925
N-[4-[8-ethyl-2-[[(3S,5S)-5-fluoropiperidin-3-yl]amino]quinazolin-6-yl]-2-fluorophenyl]-1-phenylmethanesulfonamide
CID 155391406
N-[2,6-difluoro-4-[2-[[(3S)-piperidin-3-yl]amino]quinazolin-6-yl]phenyl]-1-phenylmethanesulfonamide
CID 155391672
N-[2,6-difluoro-4-[2-[[(3S,5S)-5-fluoropiperidin-3-yl]amino]quinazolin-6-yl]phenyl]-1-phenylmethanesulfonamide
CID 155391693
N-[2,3-difluoro-4-[2-[[(3S)-piperidin-3-yl]amino]quinazolin-6-yl]phenyl]-1-phenylmethanesulfonamide
CID 155391700
N-[4-[8-ethyl-2-[[(3S,5S)-5-fluoropiperidin-3-yl]amino]quinazolin-6-yl]-3-fluorophenyl]-1-phenylmethanesulfonamide
CID 155391735

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).