2-[4-[4-(3-chlorophenyl)piperazin-1-yl]quinazolin-2-yl]-5-(4-fluorophenyl)-1,3,4-oxadiazole

C26H20ClFN6O — CID 22579321

IUPAC2-[4-[4-(3-chlorophenyl)piperazin-1-yl]quinazolin-2-yl]-5-(4-fluorophenyl)-1,3,4-oxadiazole
SMILESFc1ccc(-c2nnc(-c3nc(N4CCN(c5cccc(Cl)c5)CC4)c4ccccc4n3)o2)cc1
InChIInChI=1S/C26H20ClFN6O/c27-18-4-3-5-20(16-18)33-12-14-34(15-13-33)24-21-6-1-2-7-22(21)29-23(30-24)26-32-31-25(35-26)17-8-10-19(28)11-9-17/h1-11,16H,12-15H2
InChIKeyDGBGKQVIXNVWNR-UHFFFAOYSA-N
MW486.94 g/mol
LogP5.47
Rot. Bonds4

About 2-[4-[4-(3-chlorophenyl)piperazin-1-yl]quinazolin-2-yl]-5-(4-fluorophenyl)-1,3,4-oxadiazole

2-[4-[4-(3-chlorophenyl)piperazin-1-yl]quinazolin-2-yl]-5-(4-fluorophenyl)-1,3,4-oxadiazole (PubChem CID 22579321) has the molecular formula C26H20ClFN6O and a molecular weight of 486.94 g/mol. Its IUPAC name is 2-[4-[4-(3-chlorophenyl)piperazin-1-yl]quinazolin-2-yl]-5-(4-fluorophenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[4-[4-(3-chlorophenyl)piperazin-1-yl]quinazolin-2-yl]-5-(4-fluorophenyl)-1,3,4-oxadiazole
PubChem CID22579321
Molecular FormulaC26H20ClFN6O
Molecular Weight486.94 g/mol
Exact Mass486.14
IUPAC Name2-[4-[4-(3-chlorophenyl)piperazin-1-yl]quinazolin-2-yl]-5-(4-fluorophenyl)-1,3,4-oxadiazole
SMILESFc1ccc(-c2nnc(-c3nc(N4CCN(c5cccc(Cl)c5)CC4)c4ccccc4n3)o2)cc1
InChIInChI=1S/C26H20ClFN6O/c27-18-4-3-5-20(16-18)33-12-14-34(15-13-33)24-21-6-1-2-7-22(21)29-23(30-24)26-32-31-25(35-26)17-8-10-19(28)11-9-17/h1-11,16H,12-15H2
InChIKeyDGBGKQVIXNVWNR-UHFFFAOYSA-N
XLogP5.47
TPSA71.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.94
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[4-[4-(3-chlorophenyl)piperazin-1-yl]quinazolin-2-yl]-5-(4-fluorophenyl)-1,3,4-oxadiazole with MolForge

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Related Compounds

4-[4-(4-fluorophenyl)piperazin-1-yl]-2-phenylquinazoline
CID 141288937
4-[4-(4-fluorophenyl)piperazin-1-yl]quinazoline-2-carboxylic acid
CID 50852162
4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-2-(4-fluorophenyl)-5-methyl-1,3-oxazole
CID 42094310
1-[4-[2-(4-chlorophenyl)quinazolin-4-yl]piperazin-1-yl]-2-(4-fluorophenyl)ethanone
CID 24720194
1-[4-[2-(3,4-difluorophenyl)quinazolin-4-yl]piperazin-1-yl]ethanone
CID 25133124
2-(2,3-dichlorophenyl)-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinazoline
CID 46085043
2-[(R)-[4-(3-chlorophenyl)piperazin-1-yl]-(2-fluorophenyl)methyl]-5-phenyl-1,3,4-oxadiazole
CID 92707823
2-[(S)-[4-(3-chlorophenyl)piperazin-1-yl]-(2-fluorophenyl)methyl]-5-phenyl-1,3,4-oxadiazole
CID 92707824
2-(3,4-difluorophenyl)-4-piperidin-1-ylquinazoline
CID 25133120
1-[4-(7-chloro-2-phenylquinazolin-4-yl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone
CID 24720193
1-[4-[4-(3-chlorophenyl)piperazin-1-yl]-2-(trifluoromethyl)quinazolin-6-yl]ethanone
CID 67105687
[4-(3-chlorophenyl)piperazin-1-yl]-[4-(4-fluorophenyl)-2-(2,3,4-trifluorophenyl)-1,3-oxazol-5-yl]methanone
CID 142714502

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(3-chlorophenyl)piperazin-1-yl]quinazolin-2-yl]-5-(4-fluorophenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[4-[4-(3-chlorophenyl)piperazin-1-yl]quinazolin-2-yl]-5-(4-fluorophenyl)-1,3,4-oxadiazole (CID 22579321) is 2-[4-[4-(3-chlorophenyl)piperazin-1-yl]quinazolin-2-yl]-5-(4-fluorophenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[4-[4-(3-chlorophenyl)piperazin-1-yl]quinazolin-2-yl]-5-(4-fluorophenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[4-[4-(3-chlorophenyl)piperazin-1-yl]quinazolin-2-yl]-5-(4-fluorophenyl)-1,3,4-oxadiazole is Fc1ccc(-c2nnc(-c3nc(N4CCN(c5cccc(Cl)c5)CC4)c4ccccc4n3)o2)cc1.
What is the InChIKey of 2-[4-[4-(3-chlorophenyl)piperazin-1-yl]quinazolin-2-yl]-5-(4-fluorophenyl)-1,3,4-oxadiazole?
The InChIKey is DGBGKQVIXNVWNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20ClFN6O/c27-18-4-3-5-20(16-18)33-12-14-34(15-13-33)24-21-6-1-2-7-22(21)29-23(30-24)26-32-31-25(35-26)17-8-10-19(28)11-9-17/h1-11,16H,12-15H2.
What are the key properties of 2-[4-[4-(3-chlorophenyl)piperazin-1-yl]quinazolin-2-yl]-5-(4-fluorophenyl)-1,3,4-oxadiazole?
2-[4-[4-(3-chlorophenyl)piperazin-1-yl]quinazolin-2-yl]-5-(4-fluorophenyl)-1,3,4-oxadiazole has a molecular weight of 486.94 g/mol, XLogP of 5.47, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(3-chlorophenyl)piperazin-1-yl]quinazolin-2-yl]-5-(4-fluorophenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 22579321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).