2-(6-bromoquinazolin-4-yl)sulfanyl-2-phenylacetamide

C16H12BrN3OS — CID 42897400

IUPAC2-(6-bromoquinazolin-4-yl)sulfanyl-2-phenylacetamide
SMILESNC(=O)C(Sc1ncnc2ccc(Br)cc12)c1ccccc1
InChIInChI=1S/C16H12BrN3OS/c17-11-6-7-13-12(8-11)16(20-9-19-13)22-14(15(18)21)10-4-2-1-3-5-10/h1-9,14H,(H2,18,21)
InChIKeyHOFNVMAFBXCDEL-UHFFFAOYSA-N
MW374.26 g/mol
LogP3.71
Rot. Bonds4

About 2-(6-bromoquinazolin-4-yl)sulfanyl-2-phenylacetamide

2-(6-bromoquinazolin-4-yl)sulfanyl-2-phenylacetamide (PubChem CID 42897400) has the molecular formula C16H12BrN3OS and a molecular weight of 374.26 g/mol. Its IUPAC name is 2-(6-bromoquinazolin-4-yl)sulfanyl-2-phenylacetamide.

Molecular Properties

Compound Name2-(6-bromoquinazolin-4-yl)sulfanyl-2-phenylacetamide
PubChem CID42897400
Molecular FormulaC16H12BrN3OS
Molecular Weight374.26 g/mol
Exact Mass372.99
IUPAC Name2-(6-bromoquinazolin-4-yl)sulfanyl-2-phenylacetamide
SMILESNC(=O)C(Sc1ncnc2ccc(Br)cc12)c1ccccc1
InChIInChI=1S/C16H12BrN3OS/c17-11-6-7-13-12(8-11)16(20-9-19-13)22-14(15(18)21)10-4-2-1-3-5-10/h1-9,14H,(H2,18,21)
InChIKeyHOFNVMAFBXCDEL-UHFFFAOYSA-N
XLogP3.71
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.26
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(6-bromoquinazolin-4-yl)sulfanyl-2-phenylacetamide?
The IUPAC name of 2-(6-bromoquinazolin-4-yl)sulfanyl-2-phenylacetamide (CID 42897400) is 2-(6-bromoquinazolin-4-yl)sulfanyl-2-phenylacetamide.
What is the SMILES notation for 2-(6-bromoquinazolin-4-yl)sulfanyl-2-phenylacetamide?
The canonical SMILES for 2-(6-bromoquinazolin-4-yl)sulfanyl-2-phenylacetamide is NC(=O)C(Sc1ncnc2ccc(Br)cc12)c1ccccc1.
What is the InChIKey of 2-(6-bromoquinazolin-4-yl)sulfanyl-2-phenylacetamide?
The InChIKey is HOFNVMAFBXCDEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrN3OS/c17-11-6-7-13-12(8-11)16(20-9-19-13)22-14(15(18)21)10-4-2-1-3-5-10/h1-9,14H,(H2,18,21).
What are the key properties of 2-(6-bromoquinazolin-4-yl)sulfanyl-2-phenylacetamide?
2-(6-bromoquinazolin-4-yl)sulfanyl-2-phenylacetamide has a molecular weight of 374.26 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromoquinazolin-4-yl)sulfanyl-2-phenylacetamide is sourced from PubChem (CID 42897400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).