4-[4-(2-thiophen-2-ylquinazolin-4-yl)piperazin-1-yl]phenol

C22H20N4OS — CID 2469096

IUPAC4-[4-(2-thiophen-2-ylquinazolin-4-yl)piperazin-1-yl]phenol
SMILESOc1ccc(N2CCN(c3nc(-c4cccs4)nc4ccccc34)CC2)cc1
InChIInChI=1S/C22H20N4OS/c27-17-9-7-16(8-10-17)25-11-13-26(14-12-25)22-18-4-1-2-5-19(18)23-21(24-22)20-6-3-15-28-20/h1-10,15,27H,11-14H2
InChIKeyWPLQOSMJLJTHBD-UHFFFAOYSA-N
MW388.50 g/mol
LogP4.39
Rot. Bonds3

About 4-[4-(2-thiophen-2-ylquinazolin-4-yl)piperazin-1-yl]phenol

4-[4-(2-thiophen-2-ylquinazolin-4-yl)piperazin-1-yl]phenol (PubChem CID 2469096) has the molecular formula C22H20N4OS and a molecular weight of 388.50 g/mol. Its IUPAC name is 4-[4-(2-thiophen-2-ylquinazolin-4-yl)piperazin-1-yl]phenol.

Molecular Properties

Compound Name4-[4-(2-thiophen-2-ylquinazolin-4-yl)piperazin-1-yl]phenol
PubChem CID2469096
Molecular FormulaC22H20N4OS
Molecular Weight388.50 g/mol
Exact Mass388.14
IUPAC Name4-[4-(2-thiophen-2-ylquinazolin-4-yl)piperazin-1-yl]phenol
SMILESOc1ccc(N2CCN(c3nc(-c4cccs4)nc4ccccc34)CC2)cc1
InChIInChI=1S/C22H20N4OS/c27-17-9-7-16(8-10-17)25-11-13-26(14-12-25)22-18-4-1-2-5-19(18)23-21(24-22)20-6-3-15-28-20/h1-10,15,27H,11-14H2
InChIKeyWPLQOSMJLJTHBD-UHFFFAOYSA-N
XLogP4.39
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.50
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-thiophen-2-ylquinazolin-4-yl)piperazin-1-yl]phenol?
The IUPAC name of 4-[4-(2-thiophen-2-ylquinazolin-4-yl)piperazin-1-yl]phenol (CID 2469096) is 4-[4-(2-thiophen-2-ylquinazolin-4-yl)piperazin-1-yl]phenol.
What is the SMILES notation for 4-[4-(2-thiophen-2-ylquinazolin-4-yl)piperazin-1-yl]phenol?
The canonical SMILES for 4-[4-(2-thiophen-2-ylquinazolin-4-yl)piperazin-1-yl]phenol is Oc1ccc(N2CCN(c3nc(-c4cccs4)nc4ccccc34)CC2)cc1.
What is the InChIKey of 4-[4-(2-thiophen-2-ylquinazolin-4-yl)piperazin-1-yl]phenol?
The InChIKey is WPLQOSMJLJTHBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4OS/c27-17-9-7-16(8-10-17)25-11-13-26(14-12-25)22-18-4-1-2-5-19(18)23-21(24-22)20-6-3-15-28-20/h1-10,15,27H,11-14H2.
What are the key properties of 4-[4-(2-thiophen-2-ylquinazolin-4-yl)piperazin-1-yl]phenol?
4-[4-(2-thiophen-2-ylquinazolin-4-yl)piperazin-1-yl]phenol has a molecular weight of 388.50 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-thiophen-2-ylquinazolin-4-yl)piperazin-1-yl]phenol is sourced from PubChem (CID 2469096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).