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

C24H25N5OS — CID 59262621

IUPACpiperazin-1-yl-[2-(3-propan-2-ylanilino)thieno[2,3-h]quinazolin-8-yl]methanone
SMILESCC(C)c1cccc(Nc2ncc3ccc4sc(C(=O)N5CCNCC5)cc4c3n2)c1
InChIInChI=1S/C24H25N5OS/c1-15(2)16-4-3-5-18(12-16)27-24-26-14-17-6-7-20-19(22(17)28-24)13-21(31-20)23(30)29-10-8-25-9-11-29/h3-7,12-15,25H,8-11H2,1-2H3,(H,26,27,28)
InChIKeyCFHDDJMRHKJSQT-UHFFFAOYSA-N
MW431.57 g/mol
LogP4.76
Rot. Bonds4

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

piperazin-1-yl-[2-(3-propan-2-ylanilino)thieno[2,3-h]quinazolin-8-yl]methanone (PubChem CID 59262621) has the molecular formula C24H25N5OS and a molecular weight of 431.57 g/mol. Its IUPAC name is piperazin-1-yl-[2-(3-propan-2-ylanilino)thieno[2,3-h]quinazolin-8-yl]methanone.

Molecular Properties

Compound Namepiperazin-1-yl-[2-(3-propan-2-ylanilino)thieno[2,3-h]quinazolin-8-yl]methanone
PubChem CID59262621
Molecular FormulaC24H25N5OS
Molecular Weight431.57 g/mol
Exact Mass431.18
IUPAC Namepiperazin-1-yl-[2-(3-propan-2-ylanilino)thieno[2,3-h]quinazolin-8-yl]methanone
SMILESCC(C)c1cccc(Nc2ncc3ccc4sc(C(=O)N5CCNCC5)cc4c3n2)c1
InChIInChI=1S/C24H25N5OS/c1-15(2)16-4-3-5-18(12-16)27-24-26-14-17-6-7-20-19(22(17)28-24)13-21(31-20)23(30)29-10-8-25-9-11-29/h3-7,12-15,25H,8-11H2,1-2H3,(H,26,27,28)
InChIKeyCFHDDJMRHKJSQT-UHFFFAOYSA-N
XLogP4.76
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.57
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of piperazin-1-yl-[2-(3-propan-2-ylanilino)thieno[2,3-h]quinazolin-8-yl]methanone?
The IUPAC name of piperazin-1-yl-[2-(3-propan-2-ylanilino)thieno[2,3-h]quinazolin-8-yl]methanone (CID 59262621) is piperazin-1-yl-[2-(3-propan-2-ylanilino)thieno[2,3-h]quinazolin-8-yl]methanone.
What is the SMILES notation for piperazin-1-yl-[2-(3-propan-2-ylanilino)thieno[2,3-h]quinazolin-8-yl]methanone?
The canonical SMILES for piperazin-1-yl-[2-(3-propan-2-ylanilino)thieno[2,3-h]quinazolin-8-yl]methanone is CC(C)c1cccc(Nc2ncc3ccc4sc(C(=O)N5CCNCC5)cc4c3n2)c1.
What is the InChIKey of piperazin-1-yl-[2-(3-propan-2-ylanilino)thieno[2,3-h]quinazolin-8-yl]methanone?
The InChIKey is CFHDDJMRHKJSQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5OS/c1-15(2)16-4-3-5-18(12-16)27-24-26-14-17-6-7-20-19(22(17)28-24)13-21(31-20)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-ylanilino)thieno[2,3-h]quinazolin-8-yl]methanone?
piperazin-1-yl-[2-(3-propan-2-ylanilino)thieno[2,3-h]quinazolin-8-yl]methanone has a molecular weight of 431.57 g/mol, XLogP of 4.76, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for piperazin-1-yl-[2-(3-propan-2-ylanilino)thieno[2,3-h]quinazolin-8-yl]methanone is sourced from PubChem (CID 59262621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).