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

C20H19N5O2S — CID 59262723

IUPAC[2-(furan-2-ylmethylamino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone
SMILESO=C(c1cc2c(ccc3cnc(NCc4ccco4)nc32)s1)N1CCNCC1
InChIInChI=1S/C20H19N5O2S/c26-19(25-7-5-21-6-8-25)17-10-15-16(28-17)4-3-13-11-22-20(24-18(13)15)23-12-14-2-1-9-27-14/h1-4,9-11,21H,5-8,12H2,(H,22,23,24)
InChIKeyQESIJQWXFOGXCC-UHFFFAOYSA-N
MW393.47 g/mol
LogP3.10
Rot. Bonds4

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

[2-(furan-2-ylmethylamino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone (PubChem CID 59262723) has the molecular formula C20H19N5O2S and a molecular weight of 393.47 g/mol. Its IUPAC name is [2-(furan-2-ylmethylamino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[2-(furan-2-ylmethylamino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone
PubChem CID59262723
Molecular FormulaC20H19N5O2S
Molecular Weight393.47 g/mol
Exact Mass393.13
IUPAC Name[2-(furan-2-ylmethylamino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone
SMILESO=C(c1cc2c(ccc3cnc(NCc4ccco4)nc32)s1)N1CCNCC1
InChIInChI=1S/C20H19N5O2S/c26-19(25-7-5-21-6-8-25)17-10-15-16(28-17)4-3-13-11-22-20(24-18(13)15)23-12-14-2-1-9-27-14/h1-4,9-11,21H,5-8,12H2,(H,22,23,24)
InChIKeyQESIJQWXFOGXCC-UHFFFAOYSA-N
XLogP3.10
TPSA83.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-(furan-2-ylmethylamino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone?
The IUPAC name of [2-(furan-2-ylmethylamino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone (CID 59262723) is [2-(furan-2-ylmethylamino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone.
What is the SMILES notation for [2-(furan-2-ylmethylamino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone?
The canonical SMILES for [2-(furan-2-ylmethylamino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone is O=C(c1cc2c(ccc3cnc(NCc4ccco4)nc32)s1)N1CCNCC1.
What is the InChIKey of [2-(furan-2-ylmethylamino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone?
The InChIKey is QESIJQWXFOGXCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2S/c26-19(25-7-5-21-6-8-25)17-10-15-16(28-17)4-3-13-11-22-20(24-18(13)15)23-12-14-2-1-9-27-14/h1-4,9-11,21H,5-8,12H2,(H,22,23,24).
What are the key properties of [2-(furan-2-ylmethylamino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone?
[2-(furan-2-ylmethylamino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone has a molecular weight of 393.47 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(furan-2-ylmethylamino)thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone is sourced from PubChem (CID 59262723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).