7-chloro-4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-phenylquinazoline

C24H20Cl2N4O2S — CID 46133835

IUPAC7-chloro-4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-phenylquinazoline
SMILESO=S(=O)(c1ccc(Cl)cc1)N1CCN(c2nc(-c3ccccc3)nc3cc(Cl)ccc23)CC1
InChIInChI=1S/C24H20Cl2N4O2S/c25-18-6-9-20(10-7-18)33(31,32)30-14-12-29(13-15-30)24-21-11-8-19(26)16-22(21)27-23(28-24)17-4-2-1-3-5-17/h1-11,16H,12-15H2
InChIKeyGMCPMHJLSOGEKF-UHFFFAOYSA-N
MW499.42 g/mol
LogP5.11
Rot. Bonds4

About 7-chloro-4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-phenylquinazoline

7-chloro-4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-phenylquinazoline (PubChem CID 46133835) has the molecular formula C24H20Cl2N4O2S and a molecular weight of 499.42 g/mol. Its IUPAC name is 7-chloro-4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-phenylquinazoline.

Molecular Properties

Compound Name7-chloro-4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-phenylquinazoline
PubChem CID46133835
Molecular FormulaC24H20Cl2N4O2S
Molecular Weight499.42 g/mol
Exact Mass498.07
IUPAC Name7-chloro-4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-phenylquinazoline
SMILESO=S(=O)(c1ccc(Cl)cc1)N1CCN(c2nc(-c3ccccc3)nc3cc(Cl)ccc23)CC1
InChIInChI=1S/C24H20Cl2N4O2S/c25-18-6-9-20(10-7-18)33(31,32)30-14-12-29(13-15-30)24-21-11-8-19(26)16-22(21)27-23(28-24)17-4-2-1-3-5-17/h1-11,16H,12-15H2
InChIKeyGMCPMHJLSOGEKF-UHFFFAOYSA-N
XLogP5.11
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.42
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[4-(2-phenylquinazolin-4-yl)piperazin-1-yl]sulfonylphenyl]ethanone
CID 26454973
4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-2-phenylquinazoline
CID 2563217
4-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-2-pyridin-4-ylquinazoline
CID 55515853
1-[4-(7-chloro-2-phenylquinazolin-4-yl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone
CID 24720193
4-[4-(bromomethylsulfonyl)piperazin-1-yl]-2-phenylquinazoline
CID 154752797
2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]quinoxaline
CID 33370889
2-[4-(3,5-dichlorophenyl)sulfonylpiperazin-1-yl]-3-phenylquinoxaline
CID 46093749
2-[(1R)-1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]ethyl]-4-piperidin-1-ylquinazoline
CID 59993462
7-chloro-4-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-methoxyphenyl)quinazoline
CID 42809161
8-chloro-3-(3-methylphenyl)-5-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-[1,2,4]triazolo[4,3-c]quinazoline
CID 46064674
4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-3-phenyl-6-propyl-[1,2]oxazolo[5,4-d]pyrimidine
CID 42875101
2-(2,4-dichlorophenyl)-4-pyrrolidin-1-ylquinazoline
CID 914636

Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-phenylquinazoline?
The IUPAC name of 7-chloro-4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-phenylquinazoline (CID 46133835) is 7-chloro-4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-phenylquinazoline.
What is the SMILES notation for 7-chloro-4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-phenylquinazoline?
The canonical SMILES for 7-chloro-4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-phenylquinazoline is O=S(=O)(c1ccc(Cl)cc1)N1CCN(c2nc(-c3ccccc3)nc3cc(Cl)ccc23)CC1.
What is the InChIKey of 7-chloro-4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-phenylquinazoline?
The InChIKey is GMCPMHJLSOGEKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20Cl2N4O2S/c25-18-6-9-20(10-7-18)33(31,32)30-14-12-29(13-15-30)24-21-11-8-19(26)16-22(21)27-23(28-24)17-4-2-1-3-5-17/h1-11,16H,12-15H2.
What are the key properties of 7-chloro-4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-phenylquinazoline?
7-chloro-4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-phenylquinazoline has a molecular weight of 499.42 g/mol, XLogP of 5.11, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-phenylquinazoline is sourced from PubChem (CID 46133835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).