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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Related Compounds

[2-(2-phenylethylamino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone
CID 59262640
piperazin-1-yl-[2-(3-pyridin-3-ylanilino)thieno[2,3-h]quinazolin-8-yl]methanone
CID 59262756
[2-(3-benzylanilino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone
CID 59262751
1-[3-[[8-(piperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]propan-2-one
CID 160610269
1-[4-[2-(3-methylsulfonylanilino)thieno[2,3-h]quinazoline-8-carbonyl]-1,4-diazepan-1-yl]ethanone
CID 59262748
3-[[8-(3-aminopyrrolidine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]benzenesulfinic acid
CID 70947123
(3-aminopyrrolidin-1-yl)-[2-(3-fluoroanilino)thieno[2,3-h]quinazolin-8-yl]methanone
CID 59262706
[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-[2-(3-methylsulfonylanilino)thieno[2,3-h]quinazolin-8-yl]methanone
CID 59262879
(5S)-N-(2-pyridin-3-ylethyl)-2-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxamide
CID 95108930
5-methylsulfonyl-4-piperidin-3-yl-N-(2-pyridin-3-ylethyl)pyrimidin-2-amine
CID 70736895
1-(1-benzothiophene-2-carbonyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 55601176
[3-[[4-(piperazine-1-carbonyl)-5,8-dithia-11,13-diazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaen-12-yl]amino]phenyl]sulfanium
CID 143037321

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).