4-(4-phenylpiperazin-1-yl)-2-thiophen-2-ylquinazoline

C22H20N4S — CID 2573408

IUPAC4-(4-phenylpiperazin-1-yl)-2-thiophen-2-ylquinazoline
SMILESc1ccc(N2CCN(c3nc(-c4cccs4)nc4ccccc34)CC2)cc1
InChIInChI=1S/C22H20N4S/c1-2-7-17(8-3-1)25-12-14-26(15-13-25)22-18-9-4-5-10-19(18)23-21(24-22)20-11-6-16-27-20/h1-11,16H,12-15H2
InChIKeyYNKSRHHSSCCNQM-UHFFFAOYSA-N
MW372.50 g/mol
LogP4.68
Rot. Bonds3

About 4-(4-phenylpiperazin-1-yl)-2-thiophen-2-ylquinazoline

4-(4-phenylpiperazin-1-yl)-2-thiophen-2-ylquinazoline (PubChem CID 2573408) has the molecular formula C22H20N4S and a molecular weight of 372.50 g/mol. Its IUPAC name is 4-(4-phenylpiperazin-1-yl)-2-thiophen-2-ylquinazoline.

Molecular Properties

Compound Name4-(4-phenylpiperazin-1-yl)-2-thiophen-2-ylquinazoline
PubChem CID2573408
Molecular FormulaC22H20N4S
Molecular Weight372.50 g/mol
Exact Mass372.14
IUPAC Name4-(4-phenylpiperazin-1-yl)-2-thiophen-2-ylquinazoline
SMILESc1ccc(N2CCN(c3nc(-c4cccs4)nc4ccccc34)CC2)cc1
InChIInChI=1S/C22H20N4S/c1-2-7-17(8-3-1)25-12-14-26(15-13-25)22-18-9-4-5-10-19(18)23-21(24-22)20-11-6-16-27-20/h1-11,16H,12-15H2
InChIKeyYNKSRHHSSCCNQM-UHFFFAOYSA-N
XLogP4.68
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.50
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-phenylpiperazin-1-yl)-2-thiophen-2-ylquinazoline?
The IUPAC name of 4-(4-phenylpiperazin-1-yl)-2-thiophen-2-ylquinazoline (CID 2573408) is 4-(4-phenylpiperazin-1-yl)-2-thiophen-2-ylquinazoline.
What is the SMILES notation for 4-(4-phenylpiperazin-1-yl)-2-thiophen-2-ylquinazoline?
The canonical SMILES for 4-(4-phenylpiperazin-1-yl)-2-thiophen-2-ylquinazoline is c1ccc(N2CCN(c3nc(-c4cccs4)nc4ccccc34)CC2)cc1.
What is the InChIKey of 4-(4-phenylpiperazin-1-yl)-2-thiophen-2-ylquinazoline?
The InChIKey is YNKSRHHSSCCNQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4S/c1-2-7-17(8-3-1)25-12-14-26(15-13-25)22-18-9-4-5-10-19(18)23-21(24-22)20-11-6-16-27-20/h1-11,16H,12-15H2.
What are the key properties of 4-(4-phenylpiperazin-1-yl)-2-thiophen-2-ylquinazoline?
4-(4-phenylpiperazin-1-yl)-2-thiophen-2-ylquinazoline has a molecular weight of 372.50 g/mol, XLogP of 4.68, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-phenylpiperazin-1-yl)-2-thiophen-2-ylquinazoline is sourced from PubChem (CID 2573408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).