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

C22H22N6OS — CID 59262611

IUPACpiperazin-1-yl-[2-(2-pyridin-3-ylethylamino)thieno[2,3-h]quinazolin-8-yl]methanone
SMILESO=C(c1cc2c(ccc3cnc(NCCc4cccnc4)nc32)s1)N1CCNCC1
InChIInChI=1S/C22H22N6OS/c29-21(28-10-8-23-9-11-28)19-12-17-18(30-19)4-3-16-14-26-22(27-20(16)17)25-7-5-15-2-1-6-24-13-15/h1-4,6,12-14,23H,5,7-11H2,(H,25,26,27)
InChIKeyUQMZANPJANXBHJ-UHFFFAOYSA-N
MW418.53 g/mol
LogP2.94
Rot. Bonds5

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

piperazin-1-yl-[2-(2-pyridin-3-ylethylamino)thieno[2,3-h]quinazolin-8-yl]methanone (PubChem CID 59262611) has the molecular formula C22H22N6OS and a molecular weight of 418.53 g/mol. Its IUPAC name is piperazin-1-yl-[2-(2-pyridin-3-ylethylamino)thieno[2,3-h]quinazolin-8-yl]methanone.

Molecular Properties

Compound Namepiperazin-1-yl-[2-(2-pyridin-3-ylethylamino)thieno[2,3-h]quinazolin-8-yl]methanone
PubChem CID59262611
Molecular FormulaC22H22N6OS
Molecular Weight418.53 g/mol
Exact Mass418.16
IUPAC Namepiperazin-1-yl-[2-(2-pyridin-3-ylethylamino)thieno[2,3-h]quinazolin-8-yl]methanone
SMILESO=C(c1cc2c(ccc3cnc(NCCc4cccnc4)nc32)s1)N1CCNCC1
InChIInChI=1S/C22H22N6OS/c29-21(28-10-8-23-9-11-28)19-12-17-18(30-19)4-3-16-14-26-22(27-20(16)17)25-7-5-15-2-1-6-24-13-15/h1-4,6,12-14,23H,5,7-11H2,(H,25,26,27)
InChIKeyUQMZANPJANXBHJ-UHFFFAOYSA-N
XLogP2.94
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.53
LogP ≤ 52.94
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-(2-pyridin-3-ylethylamino)thieno[2,3-h]quinazolin-8-yl]methanone?
The IUPAC name of piperazin-1-yl-[2-(2-pyridin-3-ylethylamino)thieno[2,3-h]quinazolin-8-yl]methanone (CID 59262611) is piperazin-1-yl-[2-(2-pyridin-3-ylethylamino)thieno[2,3-h]quinazolin-8-yl]methanone.
What is the SMILES notation for piperazin-1-yl-[2-(2-pyridin-3-ylethylamino)thieno[2,3-h]quinazolin-8-yl]methanone?
The canonical SMILES for piperazin-1-yl-[2-(2-pyridin-3-ylethylamino)thieno[2,3-h]quinazolin-8-yl]methanone is O=C(c1cc2c(ccc3cnc(NCCc4cccnc4)nc32)s1)N1CCNCC1.
What is the InChIKey of piperazin-1-yl-[2-(2-pyridin-3-ylethylamino)thieno[2,3-h]quinazolin-8-yl]methanone?
The InChIKey is UQMZANPJANXBHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6OS/c29-21(28-10-8-23-9-11-28)19-12-17-18(30-19)4-3-16-14-26-22(27-20(16)17)25-7-5-15-2-1-6-24-13-15/h1-4,6,12-14,23H,5,7-11H2,(H,25,26,27).
What are the key properties of piperazin-1-yl-[2-(2-pyridin-3-ylethylamino)thieno[2,3-h]quinazolin-8-yl]methanone?
piperazin-1-yl-[2-(2-pyridin-3-ylethylamino)thieno[2,3-h]quinazolin-8-yl]methanone has a molecular weight of 418.53 g/mol, XLogP of 2.94, 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-(2-pyridin-3-ylethylamino)thieno[2,3-h]quinazolin-8-yl]methanone is sourced from PubChem (CID 59262611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).