2-[2-(2-fluorophenyl)-4-oxoquinazolin-3-yl]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide

C24H17FN4O3S — CID 4649571

IUPAC2-[2-(2-fluorophenyl)-4-oxoquinazolin-3-yl]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
SMILESCOc1ccc2nc(NC(=O)Cn3c(-c4ccccc4F)nc4ccccc4c3=O)sc2c1
InChIInChI=1S/C24H17FN4O3S/c1-32-14-10-11-19-20(12-14)33-24(27-19)28-21(30)13-29-22(15-6-2-4-8-17(15)25)26-18-9-5-3-7-16(18)23(29)31/h2-12H,13H2,1H3,(H,27,28,30)
InChIKeyJNXLGNSLASMQDG-UHFFFAOYSA-N
MW460.49 g/mol
LogP4.46
Rot. Bonds5

About 2-[2-(2-fluorophenyl)-4-oxoquinazolin-3-yl]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide

2-[2-(2-fluorophenyl)-4-oxoquinazolin-3-yl]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide (PubChem CID 4649571) has the molecular formula C24H17FN4O3S and a molecular weight of 460.49 g/mol. Its IUPAC name is 2-[2-(2-fluorophenyl)-4-oxoquinazolin-3-yl]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[2-(2-fluorophenyl)-4-oxoquinazolin-3-yl]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
PubChem CID4649571
Molecular FormulaC24H17FN4O3S
Molecular Weight460.49 g/mol
Exact Mass460.10
IUPAC Name2-[2-(2-fluorophenyl)-4-oxoquinazolin-3-yl]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
SMILESCOc1ccc2nc(NC(=O)Cn3c(-c4ccccc4F)nc4ccccc4c3=O)sc2c1
InChIInChI=1S/C24H17FN4O3S/c1-32-14-10-11-19-20(12-14)33-24(27-19)28-21(30)13-29-22(15-6-2-4-8-17(15)25)26-18-9-5-3-7-16(18)23(29)31/h2-12H,13H2,1H3,(H,27,28,30)
InChIKeyJNXLGNSLASMQDG-UHFFFAOYSA-N
XLogP4.46
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.49
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-fluorophenyl)-4-oxoquinazolin-3-yl]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of 2-[2-(2-fluorophenyl)-4-oxoquinazolin-3-yl]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide (CID 4649571) is 2-[2-(2-fluorophenyl)-4-oxoquinazolin-3-yl]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for 2-[2-(2-fluorophenyl)-4-oxoquinazolin-3-yl]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for 2-[2-(2-fluorophenyl)-4-oxoquinazolin-3-yl]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide is COc1ccc2nc(NC(=O)Cn3c(-c4ccccc4F)nc4ccccc4c3=O)sc2c1.
What is the InChIKey of 2-[2-(2-fluorophenyl)-4-oxoquinazolin-3-yl]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is JNXLGNSLASMQDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17FN4O3S/c1-32-14-10-11-19-20(12-14)33-24(27-19)28-21(30)13-29-22(15-6-2-4-8-17(15)25)26-18-9-5-3-7-16(18)23(29)31/h2-12H,13H2,1H3,(H,27,28,30).
What are the key properties of 2-[2-(2-fluorophenyl)-4-oxoquinazolin-3-yl]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide?
2-[2-(2-fluorophenyl)-4-oxoquinazolin-3-yl]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 460.49 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-fluorophenyl)-4-oxoquinazolin-3-yl]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 4649571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).