furan-2-yl-[4-(2-thiophen-3-ylquinazolin-4-yl)piperazin-1-yl]methanone

C21H18N4O2S — CID 25474131

IUPACfuran-2-yl-[4-(2-thiophen-3-ylquinazolin-4-yl)piperazin-1-yl]methanone
SMILESO=C(c1ccco1)N1CCN(c2nc(-c3ccsc3)nc3ccccc23)CC1
InChIInChI=1S/C21H18N4O2S/c26-21(18-6-3-12-27-18)25-10-8-24(9-11-25)20-16-4-1-2-5-17(16)22-19(23-20)15-7-13-28-14-15/h1-7,12-14H,8-11H2
InChIKeyCOTIMLFPCSTMFK-UHFFFAOYSA-N
MW390.47 g/mol
LogP3.91
Rot. Bonds3

About furan-2-yl-[4-(2-thiophen-3-ylquinazolin-4-yl)piperazin-1-yl]methanone

furan-2-yl-[4-(2-thiophen-3-ylquinazolin-4-yl)piperazin-1-yl]methanone (PubChem CID 25474131) has the molecular formula C21H18N4O2S and a molecular weight of 390.47 g/mol. Its IUPAC name is furan-2-yl-[4-(2-thiophen-3-ylquinazolin-4-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[4-(2-thiophen-3-ylquinazolin-4-yl)piperazin-1-yl]methanone
PubChem CID25474131
Molecular FormulaC21H18N4O2S
Molecular Weight390.47 g/mol
Exact Mass390.12
IUPAC Namefuran-2-yl-[4-(2-thiophen-3-ylquinazolin-4-yl)piperazin-1-yl]methanone
SMILESO=C(c1ccco1)N1CCN(c2nc(-c3ccsc3)nc3ccccc23)CC1
InChIInChI=1S/C21H18N4O2S/c26-21(18-6-3-12-27-18)25-10-8-24(9-11-25)20-16-4-1-2-5-17(16)22-19(23-20)15-7-13-28-14-15/h1-7,12-14H,8-11H2
InChIKeyCOTIMLFPCSTMFK-UHFFFAOYSA-N
XLogP3.91
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[4-(2-thiophen-3-ylquinazolin-4-yl)piperazin-1-yl]methanone?
The IUPAC name of furan-2-yl-[4-(2-thiophen-3-ylquinazolin-4-yl)piperazin-1-yl]methanone (CID 25474131) is furan-2-yl-[4-(2-thiophen-3-ylquinazolin-4-yl)piperazin-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[4-(2-thiophen-3-ylquinazolin-4-yl)piperazin-1-yl]methanone?
The canonical SMILES for furan-2-yl-[4-(2-thiophen-3-ylquinazolin-4-yl)piperazin-1-yl]methanone is O=C(c1ccco1)N1CCN(c2nc(-c3ccsc3)nc3ccccc23)CC1.
What is the InChIKey of furan-2-yl-[4-(2-thiophen-3-ylquinazolin-4-yl)piperazin-1-yl]methanone?
The InChIKey is COTIMLFPCSTMFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2S/c26-21(18-6-3-12-27-18)25-10-8-24(9-11-25)20-16-4-1-2-5-17(16)22-19(23-20)15-7-13-28-14-15/h1-7,12-14H,8-11H2.
What are the key properties of furan-2-yl-[4-(2-thiophen-3-ylquinazolin-4-yl)piperazin-1-yl]methanone?
furan-2-yl-[4-(2-thiophen-3-ylquinazolin-4-yl)piperazin-1-yl]methanone has a molecular weight of 390.47 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[4-(2-thiophen-3-ylquinazolin-4-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 25474131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).