3-phenyl-2-(5-thiophen-2-ylthiophen-2-yl)-1,2-dihydroquinazolin-4-one

C22H16N2OS2 — CID 71625537

IUPAC3-phenyl-2-(5-thiophen-2-ylthiophen-2-yl)-1,2-dihydroquinazolin-4-one
SMILESO=C1c2ccccc2NC(c2ccc(-c3cccs3)s2)N1c1ccccc1
InChIInChI=1S/C22H16N2OS2/c25-22-16-9-4-5-10-17(16)23-21(24(22)15-7-2-1-3-8-15)20-13-12-19(27-20)18-11-6-14-26-18/h1-14,21,23H
InChIKeyWYRZSLKWSGYPEI-UHFFFAOYSA-N
MW388.52 g/mol
LogP6.25
Rot. Bonds3

About 3-phenyl-2-(5-thiophen-2-ylthiophen-2-yl)-1,2-dihydroquinazolin-4-one

3-phenyl-2-(5-thiophen-2-ylthiophen-2-yl)-1,2-dihydroquinazolin-4-one (PubChem CID 71625537) has the molecular formula C22H16N2OS2 and a molecular weight of 388.52 g/mol. Its IUPAC name is 3-phenyl-2-(5-thiophen-2-ylthiophen-2-yl)-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name3-phenyl-2-(5-thiophen-2-ylthiophen-2-yl)-1,2-dihydroquinazolin-4-one
PubChem CID71625537
Molecular FormulaC22H16N2OS2
Molecular Weight388.52 g/mol
Exact Mass388.07
IUPAC Name3-phenyl-2-(5-thiophen-2-ylthiophen-2-yl)-1,2-dihydroquinazolin-4-one
SMILESO=C1c2ccccc2NC(c2ccc(-c3cccs3)s2)N1c1ccccc1
InChIInChI=1S/C22H16N2OS2/c25-22-16-9-4-5-10-17(16)23-21(24(22)15-7-2-1-3-8-15)20-13-12-19(27-20)18-11-6-14-26-18/h1-14,21,23H
InChIKeyWYRZSLKWSGYPEI-UHFFFAOYSA-N
XLogP6.25
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.52
LogP ≤ 56.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2-(5-thiophen-2-ylthiophen-2-yl)-1,2-dihydroquinazolin-4-one?
The IUPAC name of 3-phenyl-2-(5-thiophen-2-ylthiophen-2-yl)-1,2-dihydroquinazolin-4-one (CID 71625537) is 3-phenyl-2-(5-thiophen-2-ylthiophen-2-yl)-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 3-phenyl-2-(5-thiophen-2-ylthiophen-2-yl)-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 3-phenyl-2-(5-thiophen-2-ylthiophen-2-yl)-1,2-dihydroquinazolin-4-one is O=C1c2ccccc2NC(c2ccc(-c3cccs3)s2)N1c1ccccc1.
What is the InChIKey of 3-phenyl-2-(5-thiophen-2-ylthiophen-2-yl)-1,2-dihydroquinazolin-4-one?
The InChIKey is WYRZSLKWSGYPEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2OS2/c25-22-16-9-4-5-10-17(16)23-21(24(22)15-7-2-1-3-8-15)20-13-12-19(27-20)18-11-6-14-26-18/h1-14,21,23H.
What are the key properties of 3-phenyl-2-(5-thiophen-2-ylthiophen-2-yl)-1,2-dihydroquinazolin-4-one?
3-phenyl-2-(5-thiophen-2-ylthiophen-2-yl)-1,2-dihydroquinazolin-4-one has a molecular weight of 388.52 g/mol, XLogP of 6.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2-(5-thiophen-2-ylthiophen-2-yl)-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 71625537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).