2-[2-(4-bromophenyl)-6-fluoroquinazolin-4-yl]sulfanylacetamide

C16H11BrFN3OS — CID 1143331

IUPAC2-[2-(4-bromophenyl)-6-fluoroquinazolin-4-yl]sulfanylacetamide
SMILESNC(=O)CSc1nc(-c2ccc(Br)cc2)nc2ccc(F)cc12
InChIInChI=1S/C16H11BrFN3OS/c17-10-3-1-9(2-4-10)15-20-13-6-5-11(18)7-12(13)16(21-15)23-8-14(19)22/h1-7H,8H2,(H2,19,22)
InChIKeyRKNSHIWMVBQSEO-UHFFFAOYSA-N
MW392.25 g/mol
LogP3.78
Rot. Bonds4

About 2-[2-(4-bromophenyl)-6-fluoroquinazolin-4-yl]sulfanylacetamide

2-[2-(4-bromophenyl)-6-fluoroquinazolin-4-yl]sulfanylacetamide (PubChem CID 1143331) has the molecular formula C16H11BrFN3OS and a molecular weight of 392.25 g/mol. Its IUPAC name is 2-[2-(4-bromophenyl)-6-fluoroquinazolin-4-yl]sulfanylacetamide.

Molecular Properties

Compound Name2-[2-(4-bromophenyl)-6-fluoroquinazolin-4-yl]sulfanylacetamide
PubChem CID1143331
Molecular FormulaC16H11BrFN3OS
Molecular Weight392.25 g/mol
Exact Mass390.98
IUPAC Name2-[2-(4-bromophenyl)-6-fluoroquinazolin-4-yl]sulfanylacetamide
SMILESNC(=O)CSc1nc(-c2ccc(Br)cc2)nc2ccc(F)cc12
InChIInChI=1S/C16H11BrFN3OS/c17-10-3-1-9(2-4-10)15-20-13-6-5-11(18)7-12(13)16(21-15)23-8-14(19)22/h1-7H,8H2,(H2,19,22)
InChIKeyRKNSHIWMVBQSEO-UHFFFAOYSA-N
XLogP3.78
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.25
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[2-(4-bromophenyl)-6-fluoroquinazolin-4-yl]sulfanylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-bromophenyl)-6-fluoroquinazolin-4-yl]sulfanylacetamide?
The IUPAC name of 2-[2-(4-bromophenyl)-6-fluoroquinazolin-4-yl]sulfanylacetamide (CID 1143331) is 2-[2-(4-bromophenyl)-6-fluoroquinazolin-4-yl]sulfanylacetamide.
What is the SMILES notation for 2-[2-(4-bromophenyl)-6-fluoroquinazolin-4-yl]sulfanylacetamide?
The canonical SMILES for 2-[2-(4-bromophenyl)-6-fluoroquinazolin-4-yl]sulfanylacetamide is NC(=O)CSc1nc(-c2ccc(Br)cc2)nc2ccc(F)cc12.
What is the InChIKey of 2-[2-(4-bromophenyl)-6-fluoroquinazolin-4-yl]sulfanylacetamide?
The InChIKey is RKNSHIWMVBQSEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrFN3OS/c17-10-3-1-9(2-4-10)15-20-13-6-5-11(18)7-12(13)16(21-15)23-8-14(19)22/h1-7H,8H2,(H2,19,22).
What are the key properties of 2-[2-(4-bromophenyl)-6-fluoroquinazolin-4-yl]sulfanylacetamide?
2-[2-(4-bromophenyl)-6-fluoroquinazolin-4-yl]sulfanylacetamide has a molecular weight of 392.25 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-bromophenyl)-6-fluoroquinazolin-4-yl]sulfanylacetamide is sourced from PubChem (CID 1143331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).