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

C23H22FN5OS — CID 59262715

IUPAC[2-[2-(4-fluorophenyl)ethylamino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone
SMILESO=C(c1cc2c(ccc3cnc(NCCc4ccc(F)cc4)nc32)s1)N1CCNCC1
InChIInChI=1S/C23H22FN5OS/c24-17-4-1-15(2-5-17)7-8-26-23-27-14-16-3-6-19-18(21(16)28-23)13-20(31-19)22(30)29-11-9-25-10-12-29/h1-6,13-14,25H,7-12H2,(H,26,27,28)
InChIKeyXGCDPPFMDZUFAL-UHFFFAOYSA-N
MW435.53 g/mol
LogP3.68
Rot. Bonds5

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

[2-[2-(4-fluorophenyl)ethylamino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone (PubChem CID 59262715) has the molecular formula C23H22FN5OS and a molecular weight of 435.53 g/mol. Its IUPAC name is [2-[2-(4-fluorophenyl)ethylamino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[2-[2-(4-fluorophenyl)ethylamino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone
PubChem CID59262715
Molecular FormulaC23H22FN5OS
Molecular Weight435.53 g/mol
Exact Mass435.15
IUPAC Name[2-[2-(4-fluorophenyl)ethylamino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone
SMILESO=C(c1cc2c(ccc3cnc(NCCc4ccc(F)cc4)nc32)s1)N1CCNCC1
InChIInChI=1S/C23H22FN5OS/c24-17-4-1-15(2-5-17)7-8-26-23-27-14-16-3-6-19-18(21(16)28-23)13-20(31-19)22(30)29-11-9-25-10-12-29/h1-6,13-14,25H,7-12H2,(H,26,27,28)
InChIKeyXGCDPPFMDZUFAL-UHFFFAOYSA-N
XLogP3.68
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-[2-(4-fluorophenyl)ethylamino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-[2-(4-fluorophenyl)ethylamino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone?
The IUPAC name of [2-[2-(4-fluorophenyl)ethylamino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone (CID 59262715) is [2-[2-(4-fluorophenyl)ethylamino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone.
What is the SMILES notation for [2-[2-(4-fluorophenyl)ethylamino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone?
The canonical SMILES for [2-[2-(4-fluorophenyl)ethylamino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone is O=C(c1cc2c(ccc3cnc(NCCc4ccc(F)cc4)nc32)s1)N1CCNCC1.
What is the InChIKey of [2-[2-(4-fluorophenyl)ethylamino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone?
The InChIKey is XGCDPPFMDZUFAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN5OS/c24-17-4-1-15(2-5-17)7-8-26-23-27-14-16-3-6-19-18(21(16)28-23)13-20(31-19)22(30)29-11-9-25-10-12-29/h1-6,13-14,25H,7-12H2,(H,26,27,28).
What are the key properties of [2-[2-(4-fluorophenyl)ethylamino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone?
[2-[2-(4-fluorophenyl)ethylamino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone has a molecular weight of 435.53 g/mol, XLogP of 3.68, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(4-fluorophenyl)ethylamino]thieno[2,3-h]quinazolin-8-yl]-piperazin-1-ylmethanone is sourced from PubChem (CID 59262715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).