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

C23H23N5OS — CID 59262640

IUPAC[2-(2-phenylethylamino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone
SMILESO=C(c1cc2c(ccc3cnc(NCCc4ccccc4)nc32)s1)N1CCNCC1
InChIInChI=1S/C23H23N5OS/c29-22(28-12-10-24-11-13-28)20-14-18-19(30-20)7-6-17-15-26-23(27-21(17)18)25-9-8-16-4-2-1-3-5-16/h1-7,14-15,24H,8-13H2,(H,25,26,27)
InChIKeyJDVIUNOYSYRMIF-UHFFFAOYSA-N
MW417.54 g/mol
LogP3.54
Rot. Bonds5

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

[2-(2-phenylethylamino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone (PubChem CID 59262640) has the molecular formula C23H23N5OS and a molecular weight of 417.54 g/mol. Its IUPAC name is [2-(2-phenylethylamino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[2-(2-phenylethylamino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone
PubChem CID59262640
Molecular FormulaC23H23N5OS
Molecular Weight417.54 g/mol
Exact Mass417.16
IUPAC Name[2-(2-phenylethylamino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone
SMILESO=C(c1cc2c(ccc3cnc(NCCc4ccccc4)nc32)s1)N1CCNCC1
InChIInChI=1S/C23H23N5OS/c29-22(28-12-10-24-11-13-28)20-14-18-19(30-20)7-6-17-15-26-23(27-21(17)18)25-9-8-16-4-2-1-3-5-16/h1-7,14-15,24H,8-13H2,(H,25,26,27)
InChIKeyJDVIUNOYSYRMIF-UHFFFAOYSA-N
XLogP3.54
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.54
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(2-phenylethylamino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone?
The IUPAC name of [2-(2-phenylethylamino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone (CID 59262640) is [2-(2-phenylethylamino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone.
What is the SMILES notation for [2-(2-phenylethylamino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone?
The canonical SMILES for [2-(2-phenylethylamino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone is O=C(c1cc2c(ccc3cnc(NCCc4ccccc4)nc32)s1)N1CCNCC1.
What is the InChIKey of [2-(2-phenylethylamino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone?
The InChIKey is JDVIUNOYSYRMIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5OS/c29-22(28-12-10-24-11-13-28)20-14-18-19(30-20)7-6-17-15-26-23(27-21(17)18)25-9-8-16-4-2-1-3-5-16/h1-7,14-15,24H,8-13H2,(H,25,26,27).
What are the key properties of [2-(2-phenylethylamino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone?
[2-(2-phenylethylamino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone has a molecular weight of 417.54 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-phenylethylamino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone is sourced from PubChem (CID 59262640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).