piperazin-1-yl-[2-(3-propan-2-yloxyanilino)thieno[2,3-h]quinazolin-8-yl]methanone

C24H25N5O2S — CID 59262798

IUPACpiperazin-1-yl-[2-(3-propan-2-yloxyanilino)thieno[2,3-h]quinazolin-8-yl]methanone
SMILESCC(C)Oc1cccc(Nc2ncc3ccc4sc(C(=O)N5CCNCC5)cc4c3n2)c1
InChIInChI=1S/C24H25N5O2S/c1-15(2)31-18-5-3-4-17(12-18)27-24-26-14-16-6-7-20-19(22(16)28-24)13-21(32-20)23(30)29-10-8-25-9-11-29/h3-7,12-15,25H,8-11H2,1-2H3,(H,26,27,28)
InChIKeyYLTMGVZZWKEZML-UHFFFAOYSA-N
MW447.56 g/mol
LogP4.42
Rot. Bonds5

About piperazin-1-yl-[2-(3-propan-2-yloxyanilino)thieno[2,3-h]quinazolin-8-yl]methanone

piperazin-1-yl-[2-(3-propan-2-yloxyanilino)thieno[2,3-h]quinazolin-8-yl]methanone (PubChem CID 59262798) has the molecular formula C24H25N5O2S and a molecular weight of 447.56 g/mol. Its IUPAC name is piperazin-1-yl-[2-(3-propan-2-yloxyanilino)thieno[2,3-h]quinazolin-8-yl]methanone.

Molecular Properties

Compound Namepiperazin-1-yl-[2-(3-propan-2-yloxyanilino)thieno[2,3-h]quinazolin-8-yl]methanone
PubChem CID59262798
Molecular FormulaC24H25N5O2S
Molecular Weight447.56 g/mol
Exact Mass447.17
IUPAC Namepiperazin-1-yl-[2-(3-propan-2-yloxyanilino)thieno[2,3-h]quinazolin-8-yl]methanone
SMILESCC(C)Oc1cccc(Nc2ncc3ccc4sc(C(=O)N5CCNCC5)cc4c3n2)c1
InChIInChI=1S/C24H25N5O2S/c1-15(2)31-18-5-3-4-17(12-18)27-24-26-14-16-6-7-20-19(22(16)28-24)13-21(32-20)23(30)29-10-8-25-9-11-29/h3-7,12-15,25H,8-11H2,1-2H3,(H,26,27,28)
InChIKeyYLTMGVZZWKEZML-UHFFFAOYSA-N
XLogP4.42
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.56
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of piperazin-1-yl-[2-(3-propan-2-yloxyanilino)thieno[2,3-h]quinazolin-8-yl]methanone?
The IUPAC name of piperazin-1-yl-[2-(3-propan-2-yloxyanilino)thieno[2,3-h]quinazolin-8-yl]methanone (CID 59262798) is piperazin-1-yl-[2-(3-propan-2-yloxyanilino)thieno[2,3-h]quinazolin-8-yl]methanone.
What is the SMILES notation for piperazin-1-yl-[2-(3-propan-2-yloxyanilino)thieno[2,3-h]quinazolin-8-yl]methanone?
The canonical SMILES for piperazin-1-yl-[2-(3-propan-2-yloxyanilino)thieno[2,3-h]quinazolin-8-yl]methanone is CC(C)Oc1cccc(Nc2ncc3ccc4sc(C(=O)N5CCNCC5)cc4c3n2)c1.
What is the InChIKey of piperazin-1-yl-[2-(3-propan-2-yloxyanilino)thieno[2,3-h]quinazolin-8-yl]methanone?
The InChIKey is YLTMGVZZWKEZML-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2S/c1-15(2)31-18-5-3-4-17(12-18)27-24-26-14-16-6-7-20-19(22(16)28-24)13-21(32-20)23(30)29-10-8-25-9-11-29/h3-7,12-15,25H,8-11H2,1-2H3,(H,26,27,28).
What are the key properties of piperazin-1-yl-[2-(3-propan-2-yloxyanilino)thieno[2,3-h]quinazolin-8-yl]methanone?
piperazin-1-yl-[2-(3-propan-2-yloxyanilino)thieno[2,3-h]quinazolin-8-yl]methanone has a molecular weight of 447.56 g/mol, XLogP of 4.42, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for piperazin-1-yl-[2-(3-propan-2-yloxyanilino)thieno[2,3-h]quinazolin-8-yl]methanone is sourced from PubChem (CID 59262798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).