[2-(3,5-dimethylanilino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone

C23H23N5OS — CID 59262669

IUPAC[2-(3,5-dimethylanilino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone
SMILESCc1cc(C)cc(Nc2ncc3ccc4sc(C(=O)N5CCNCC5)cc4c3n2)c1
InChIInChI=1S/C23H23N5OS/c1-14-9-15(2)11-17(10-14)26-23-25-13-16-3-4-19-18(21(16)27-23)12-20(30-19)22(29)28-7-5-24-6-8-28/h3-4,9-13,24H,5-8H2,1-2H3,(H,25,26,27)
InChIKeyLOYQBPPCURXATQ-UHFFFAOYSA-N
MW417.54 g/mol
LogP4.25
Rot. Bonds3

About [2-(3,5-dimethylanilino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone

[2-(3,5-dimethylanilino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone (PubChem CID 59262669) has the molecular formula C23H23N5OS and a molecular weight of 417.54 g/mol. Its IUPAC name is [2-(3,5-dimethylanilino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[2-(3,5-dimethylanilino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone
PubChem CID59262669
Molecular FormulaC23H23N5OS
Molecular Weight417.54 g/mol
Exact Mass417.16
IUPAC Name[2-(3,5-dimethylanilino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone
SMILESCc1cc(C)cc(Nc2ncc3ccc4sc(C(=O)N5CCNCC5)cc4c3n2)c1
InChIInChI=1S/C23H23N5OS/c1-14-9-15(2)11-17(10-14)26-23-25-13-16-3-4-19-18(21(16)27-23)12-20(30-19)22(29)28-7-5-24-6-8-28/h3-4,9-13,24H,5-8H2,1-2H3,(H,25,26,27)
InChIKeyLOYQBPPCURXATQ-UHFFFAOYSA-N
XLogP4.25
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.54
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(3,5-dimethylanilino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone?
The IUPAC name of [2-(3,5-dimethylanilino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone (CID 59262669) is [2-(3,5-dimethylanilino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone.
What is the SMILES notation for [2-(3,5-dimethylanilino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone?
The canonical SMILES for [2-(3,5-dimethylanilino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone is Cc1cc(C)cc(Nc2ncc3ccc4sc(C(=O)N5CCNCC5)cc4c3n2)c1.
What is the InChIKey of [2-(3,5-dimethylanilino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone?
The InChIKey is LOYQBPPCURXATQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5OS/c1-14-9-15(2)11-17(10-14)26-23-25-13-16-3-4-19-18(21(16)27-23)12-20(30-19)22(29)28-7-5-24-6-8-28/h3-4,9-13,24H,5-8H2,1-2H3,(H,25,26,27).
What are the key properties of [2-(3,5-dimethylanilino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone?
[2-(3,5-dimethylanilino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone has a molecular weight of 417.54 g/mol, XLogP of 4.25, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,5-dimethylanilino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone is sourced from PubChem (CID 59262669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).