[2-(3-morpholin-4-ylanilino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone

C25H26N6O2S — CID 59262773

IUPAC[2-(3-morpholin-4-ylanilino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone
SMILESO=C(c1cc2c(ccc3cnc(Nc4cccc(N5CCOCC5)c4)nc32)s1)N1CCNCC1
InChIInChI=1S/C25H26N6O2S/c32-24(31-8-6-26-7-9-31)22-15-20-21(34-22)5-4-17-16-27-25(29-23(17)20)28-18-2-1-3-19(14-18)30-10-12-33-13-11-30/h1-5,14-16,26H,6-13H2,(H,27,28,29)
InChIKeyCPVGFOJXFYAQSU-UHFFFAOYSA-N
MW474.59 g/mol
LogP3.47
Rot. Bonds4

About [2-(3-morpholin-4-ylanilino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone

[2-(3-morpholin-4-ylanilino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone (PubChem CID 59262773) has the molecular formula C25H26N6O2S and a molecular weight of 474.59 g/mol. Its IUPAC name is [2-(3-morpholin-4-ylanilino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[2-(3-morpholin-4-ylanilino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone
PubChem CID59262773
Molecular FormulaC25H26N6O2S
Molecular Weight474.59 g/mol
Exact Mass474.18
IUPAC Name[2-(3-morpholin-4-ylanilino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone
SMILESO=C(c1cc2c(ccc3cnc(Nc4cccc(N5CCOCC5)c4)nc32)s1)N1CCNCC1
InChIInChI=1S/C25H26N6O2S/c32-24(31-8-6-26-7-9-31)22-15-20-21(34-22)5-4-17-16-27-25(29-23(17)20)28-18-2-1-3-19(14-18)30-10-12-33-13-11-30/h1-5,14-16,26H,6-13H2,(H,27,28,29)
InChIKeyCPVGFOJXFYAQSU-UHFFFAOYSA-N
XLogP3.47
TPSA82.62 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.59
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [2-(3-morpholin-4-ylanilino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone?
The IUPAC name of [2-(3-morpholin-4-ylanilino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone (CID 59262773) is [2-(3-morpholin-4-ylanilino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone.
What is the SMILES notation for [2-(3-morpholin-4-ylanilino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone?
The canonical SMILES for [2-(3-morpholin-4-ylanilino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone is O=C(c1cc2c(ccc3cnc(Nc4cccc(N5CCOCC5)c4)nc32)s1)N1CCNCC1.
What is the InChIKey of [2-(3-morpholin-4-ylanilino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone?
The InChIKey is CPVGFOJXFYAQSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O2S/c32-24(31-8-6-26-7-9-31)22-15-20-21(34-22)5-4-17-16-27-25(29-23(17)20)28-18-2-1-3-19(14-18)30-10-12-33-13-11-30/h1-5,14-16,26H,6-13H2,(H,27,28,29).
What are the key properties of [2-(3-morpholin-4-ylanilino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone?
[2-(3-morpholin-4-ylanilino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone has a molecular weight of 474.59 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-morpholin-4-ylanilino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone is sourced from PubChem (CID 59262773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).