2-(4-methylphenyl)-5-[4-(4-pyridin-2-ylpiperazin-1-yl)quinazolin-2-yl]-1,3,4-oxadiazole

C26H23N7O — CID 53003064

IUPAC2-(4-methylphenyl)-5-[4-(4-pyridin-2-ylpiperazin-1-yl)quinazolin-2-yl]-1,3,4-oxadiazole
SMILESCc1ccc(-c2nnc(-c3nc(N4CCN(c5ccccn5)CC4)c4ccccc4n3)o2)cc1
InChIInChI=1S/C26H23N7O/c1-18-9-11-19(12-10-18)25-30-31-26(34-25)23-28-21-7-3-2-6-20(21)24(29-23)33-16-14-32(15-17-33)22-8-4-5-13-27-22/h2-13H,14-17H2,1H3
InChIKeyNHHMRYWXDADHGD-UHFFFAOYSA-N
MW449.52 g/mol
LogP4.38
Rot. Bonds4

About 2-(4-methylphenyl)-5-[4-(4-pyridin-2-ylpiperazin-1-yl)quinazolin-2-yl]-1,3,4-oxadiazole

2-(4-methylphenyl)-5-[4-(4-pyridin-2-ylpiperazin-1-yl)quinazolin-2-yl]-1,3,4-oxadiazole (PubChem CID 53003064) has the molecular formula C26H23N7O and a molecular weight of 449.52 g/mol. Its IUPAC name is 2-(4-methylphenyl)-5-[4-(4-pyridin-2-ylpiperazin-1-yl)quinazolin-2-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-methylphenyl)-5-[4-(4-pyridin-2-ylpiperazin-1-yl)quinazolin-2-yl]-1,3,4-oxadiazole
PubChem CID53003064
Molecular FormulaC26H23N7O
Molecular Weight449.52 g/mol
Exact Mass449.20
IUPAC Name2-(4-methylphenyl)-5-[4-(4-pyridin-2-ylpiperazin-1-yl)quinazolin-2-yl]-1,3,4-oxadiazole
SMILESCc1ccc(-c2nnc(-c3nc(N4CCN(c5ccccn5)CC4)c4ccccc4n3)o2)cc1
InChIInChI=1S/C26H23N7O/c1-18-9-11-19(12-10-18)25-30-31-26(34-25)23-28-21-7-3-2-6-20(21)24(29-23)33-16-14-32(15-17-33)22-8-4-5-13-27-22/h2-13H,14-17H2,1H3
InChIKeyNHHMRYWXDADHGD-UHFFFAOYSA-N
XLogP4.38
TPSA84.07 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.52
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-5-[4-(4-pyridin-2-ylpiperazin-1-yl)quinazolin-2-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-(4-methylphenyl)-5-[4-(4-pyridin-2-ylpiperazin-1-yl)quinazolin-2-yl]-1,3,4-oxadiazole (CID 53003064) is 2-(4-methylphenyl)-5-[4-(4-pyridin-2-ylpiperazin-1-yl)quinazolin-2-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-methylphenyl)-5-[4-(4-pyridin-2-ylpiperazin-1-yl)quinazolin-2-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-methylphenyl)-5-[4-(4-pyridin-2-ylpiperazin-1-yl)quinazolin-2-yl]-1,3,4-oxadiazole is Cc1ccc(-c2nnc(-c3nc(N4CCN(c5ccccn5)CC4)c4ccccc4n3)o2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-5-[4-(4-pyridin-2-ylpiperazin-1-yl)quinazolin-2-yl]-1,3,4-oxadiazole?
The InChIKey is NHHMRYWXDADHGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N7O/c1-18-9-11-19(12-10-18)25-30-31-26(34-25)23-28-21-7-3-2-6-20(21)24(29-23)33-16-14-32(15-17-33)22-8-4-5-13-27-22/h2-13H,14-17H2,1H3.
What are the key properties of 2-(4-methylphenyl)-5-[4-(4-pyridin-2-ylpiperazin-1-yl)quinazolin-2-yl]-1,3,4-oxadiazole?
2-(4-methylphenyl)-5-[4-(4-pyridin-2-ylpiperazin-1-yl)quinazolin-2-yl]-1,3,4-oxadiazole has a molecular weight of 449.52 g/mol, XLogP of 4.38, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-5-[4-(4-pyridin-2-ylpiperazin-1-yl)quinazolin-2-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 53003064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).