2-[4-oxo-2-(phenoxymethyl)quinazolin-3-yl]-N-(1,3-thiazol-2-yl)acetamide

C20H16N4O3S — CID 3069752

IUPAC2-[4-oxo-2-(phenoxymethyl)quinazolin-3-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(Cn1c(COc2ccccc2)nc2ccccc2c1=O)Nc1nccs1
InChIInChI=1S/C20H16N4O3S/c25-18(23-20-21-10-11-28-20)12-24-17(13-27-14-6-2-1-3-7-14)22-16-9-5-4-8-15(16)19(24)26/h1-11H,12-13H2,(H,21,23,25)
InChIKeySQGHCFZUYOTGGE-UHFFFAOYSA-N
MW392.44 g/mol
LogP3.07
Rot. Bonds6

About 2-[4-oxo-2-(phenoxymethyl)quinazolin-3-yl]-N-(1,3-thiazol-2-yl)acetamide

2-[4-oxo-2-(phenoxymethyl)quinazolin-3-yl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 3069752) has the molecular formula C20H16N4O3S and a molecular weight of 392.44 g/mol. Its IUPAC name is 2-[4-oxo-2-(phenoxymethyl)quinazolin-3-yl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-oxo-2-(phenoxymethyl)quinazolin-3-yl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID3069752
Molecular FormulaC20H16N4O3S
Molecular Weight392.44 g/mol
Exact Mass392.09
IUPAC Name2-[4-oxo-2-(phenoxymethyl)quinazolin-3-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(Cn1c(COc2ccccc2)nc2ccccc2c1=O)Nc1nccs1
InChIInChI=1S/C20H16N4O3S/c25-18(23-20-21-10-11-28-20)12-24-17(13-27-14-6-2-1-3-7-14)22-16-9-5-4-8-15(16)19(24)26/h1-11H,12-13H2,(H,21,23,25)
InChIKeySQGHCFZUYOTGGE-UHFFFAOYSA-N
XLogP3.07
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.44
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-oxo-2-(phenoxymethyl)quinazolin-3-yl]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[4-oxo-2-(phenoxymethyl)quinazolin-3-yl]-N-(1,3-thiazol-2-yl)acetamide (CID 3069752) is 2-[4-oxo-2-(phenoxymethyl)quinazolin-3-yl]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[4-oxo-2-(phenoxymethyl)quinazolin-3-yl]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[4-oxo-2-(phenoxymethyl)quinazolin-3-yl]-N-(1,3-thiazol-2-yl)acetamide is O=C(Cn1c(COc2ccccc2)nc2ccccc2c1=O)Nc1nccs1.
What is the InChIKey of 2-[4-oxo-2-(phenoxymethyl)quinazolin-3-yl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is SQGHCFZUYOTGGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O3S/c25-18(23-20-21-10-11-28-20)12-24-17(13-27-14-6-2-1-3-7-14)22-16-9-5-4-8-15(16)19(24)26/h1-11H,12-13H2,(H,21,23,25).
What are the key properties of 2-[4-oxo-2-(phenoxymethyl)quinazolin-3-yl]-N-(1,3-thiazol-2-yl)acetamide?
2-[4-oxo-2-(phenoxymethyl)quinazolin-3-yl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 392.44 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-oxo-2-(phenoxymethyl)quinazolin-3-yl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 3069752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).