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

C20H18N6OS — CID 59262639

IUPACpiperazin-1-yl-[2-(pyridin-3-ylamino)thieno[2,3-h]quinazolin-8-yl]methanone
SMILESO=C(c1cc2c(ccc3cnc(Nc4cccnc4)nc32)s1)N1CCNCC1
InChIInChI=1S/C20H18N6OS/c27-19(26-8-6-21-7-9-26)17-10-15-16(28-17)4-3-13-11-23-20(25-18(13)15)24-14-2-1-5-22-12-14/h1-5,10-12,21H,6-9H2,(H,23,24,25)
InChIKeyPZYREKOAGTXNQJ-UHFFFAOYSA-N
MW390.47 g/mol
LogP3.03
Rot. Bonds3

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

piperazin-1-yl-[2-(pyridin-3-ylamino)thieno[2,3-h]quinazolin-8-yl]methanone (PubChem CID 59262639) has the molecular formula C20H18N6OS and a molecular weight of 390.47 g/mol. Its IUPAC name is piperazin-1-yl-[2-(pyridin-3-ylamino)thieno[2,3-h]quinazolin-8-yl]methanone.

Molecular Properties

Compound Namepiperazin-1-yl-[2-(pyridin-3-ylamino)thieno[2,3-h]quinazolin-8-yl]methanone
PubChem CID59262639
Molecular FormulaC20H18N6OS
Molecular Weight390.47 g/mol
Exact Mass390.13
IUPAC Namepiperazin-1-yl-[2-(pyridin-3-ylamino)thieno[2,3-h]quinazolin-8-yl]methanone
SMILESO=C(c1cc2c(ccc3cnc(Nc4cccnc4)nc32)s1)N1CCNCC1
InChIInChI=1S/C20H18N6OS/c27-19(26-8-6-21-7-9-26)17-10-15-16(28-17)4-3-13-11-23-20(25-18(13)15)24-14-2-1-5-22-12-14/h1-5,10-12,21H,6-9H2,(H,23,24,25)
InChIKeyPZYREKOAGTXNQJ-UHFFFAOYSA-N
XLogP3.03
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze piperazin-1-yl-[2-(pyridin-3-ylamino)thieno[2,3-h]quinazolin-8-yl]methanone 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 piperazin-1-yl-[2-(pyridin-3-ylamino)thieno[2,3-h]quinazolin-8-yl]methanone?
The IUPAC name of piperazin-1-yl-[2-(pyridin-3-ylamino)thieno[2,3-h]quinazolin-8-yl]methanone (CID 59262639) is piperazin-1-yl-[2-(pyridin-3-ylamino)thieno[2,3-h]quinazolin-8-yl]methanone.
What is the SMILES notation for piperazin-1-yl-[2-(pyridin-3-ylamino)thieno[2,3-h]quinazolin-8-yl]methanone?
The canonical SMILES for piperazin-1-yl-[2-(pyridin-3-ylamino)thieno[2,3-h]quinazolin-8-yl]methanone is O=C(c1cc2c(ccc3cnc(Nc4cccnc4)nc32)s1)N1CCNCC1.
What is the InChIKey of piperazin-1-yl-[2-(pyridin-3-ylamino)thieno[2,3-h]quinazolin-8-yl]methanone?
The InChIKey is PZYREKOAGTXNQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6OS/c27-19(26-8-6-21-7-9-26)17-10-15-16(28-17)4-3-13-11-23-20(25-18(13)15)24-14-2-1-5-22-12-14/h1-5,10-12,21H,6-9H2,(H,23,24,25).
What are the key properties of piperazin-1-yl-[2-(pyridin-3-ylamino)thieno[2,3-h]quinazolin-8-yl]methanone?
piperazin-1-yl-[2-(pyridin-3-ylamino)thieno[2,3-h]quinazolin-8-yl]methanone has a molecular weight of 390.47 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for piperazin-1-yl-[2-(pyridin-3-ylamino)thieno[2,3-h]quinazolin-8-yl]methanone is sourced from PubChem (CID 59262639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).