3-(4-ethoxyphenyl)-2-thiophen-2-ylquinazolin-4-one

C20H16N2O2S — CID 724262

IUPAC3-(4-ethoxyphenyl)-2-thiophen-2-ylquinazolin-4-one
SMILESCCOc1ccc(-n2c(-c3cccs3)nc3ccccc3c2=O)cc1
InChIInChI=1S/C20H16N2O2S/c1-2-24-15-11-9-14(10-12-15)22-19(18-8-5-13-25-18)21-17-7-4-3-6-16(17)20(22)23/h3-13H,2H2,1H3
InChIKeyUCGKKDGFKNSNBW-UHFFFAOYSA-N
MW348.43 g/mol
LogP4.51
Rot. Bonds4

About 3-(4-ethoxyphenyl)-2-thiophen-2-ylquinazolin-4-one

3-(4-ethoxyphenyl)-2-thiophen-2-ylquinazolin-4-one (PubChem CID 724262) has the molecular formula C20H16N2O2S and a molecular weight of 348.43 g/mol. Its IUPAC name is 3-(4-ethoxyphenyl)-2-thiophen-2-ylquinazolin-4-one.

Molecular Properties

Compound Name3-(4-ethoxyphenyl)-2-thiophen-2-ylquinazolin-4-one
PubChem CID724262
Molecular FormulaC20H16N2O2S
Molecular Weight348.43 g/mol
Exact Mass348.09
IUPAC Name3-(4-ethoxyphenyl)-2-thiophen-2-ylquinazolin-4-one
SMILESCCOc1ccc(-n2c(-c3cccs3)nc3ccccc3c2=O)cc1
InChIInChI=1S/C20H16N2O2S/c1-2-24-15-11-9-14(10-12-15)22-19(18-8-5-13-25-18)21-17-7-4-3-6-16(17)20(22)23/h3-13H,2H2,1H3
InChIKeyUCGKKDGFKNSNBW-UHFFFAOYSA-N
XLogP4.51
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxyphenyl)-2-thiophen-2-ylquinazolin-4-one?
The IUPAC name of 3-(4-ethoxyphenyl)-2-thiophen-2-ylquinazolin-4-one (CID 724262) is 3-(4-ethoxyphenyl)-2-thiophen-2-ylquinazolin-4-one.
What is the SMILES notation for 3-(4-ethoxyphenyl)-2-thiophen-2-ylquinazolin-4-one?
The canonical SMILES for 3-(4-ethoxyphenyl)-2-thiophen-2-ylquinazolin-4-one is CCOc1ccc(-n2c(-c3cccs3)nc3ccccc3c2=O)cc1.
What is the InChIKey of 3-(4-ethoxyphenyl)-2-thiophen-2-ylquinazolin-4-one?
The InChIKey is UCGKKDGFKNSNBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O2S/c1-2-24-15-11-9-14(10-12-15)22-19(18-8-5-13-25-18)21-17-7-4-3-6-16(17)20(22)23/h3-13H,2H2,1H3.
What are the key properties of 3-(4-ethoxyphenyl)-2-thiophen-2-ylquinazolin-4-one?
3-(4-ethoxyphenyl)-2-thiophen-2-ylquinazolin-4-one has a molecular weight of 348.43 g/mol, XLogP of 4.51, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxyphenyl)-2-thiophen-2-ylquinazolin-4-one is sourced from PubChem (CID 724262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).