10-(imidazole-1-carbonyl)-8-phenylthieno[2,3-a]quinolizin-7-one

C21H13N3O2S — CID 19353621

IUPAC10-(imidazole-1-carbonyl)-8-phenylthieno[2,3-a]quinolizin-7-one
SMILESO=C(c1cc(-c2ccccc2)c(=O)n2ccc3ccsc3c12)n1ccnc1
InChIInChI=1S/C21H13N3O2S/c25-20(23-10-8-22-13-23)17-12-16(14-4-2-1-3-5-14)21(26)24-9-6-15-7-11-27-19(15)18(17)24/h1-13H
InChIKeyVCUFEFCWGLBGQL-UHFFFAOYSA-N
MW371.42 g/mol
LogP4.07
Rot. Bonds2

About 10-(imidazole-1-carbonyl)-8-phenylthieno[2,3-a]quinolizin-7-one

10-(imidazole-1-carbonyl)-8-phenylthieno[2,3-a]quinolizin-7-one (PubChem CID 19353621) has the molecular formula C21H13N3O2S and a molecular weight of 371.42 g/mol. Its IUPAC name is 10-(imidazole-1-carbonyl)-8-phenylthieno[2,3-a]quinolizin-7-one.

Molecular Properties

Compound Name10-(imidazole-1-carbonyl)-8-phenylthieno[2,3-a]quinolizin-7-one
PubChem CID19353621
Molecular FormulaC21H13N3O2S
Molecular Weight371.42 g/mol
Exact Mass371.07
IUPAC Name10-(imidazole-1-carbonyl)-8-phenylthieno[2,3-a]quinolizin-7-one
SMILESO=C(c1cc(-c2ccccc2)c(=O)n2ccc3ccsc3c12)n1ccnc1
InChIInChI=1S/C21H13N3O2S/c25-20(23-10-8-22-13-23)17-12-16(14-4-2-1-3-5-14)21(26)24-9-6-15-7-11-27-19(15)18(17)24/h1-13H
InChIKeyVCUFEFCWGLBGQL-UHFFFAOYSA-N
XLogP4.07
TPSA56.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 10-(imidazole-1-carbonyl)-8-phenylthieno[2,3-a]quinolizin-7-one?
The IUPAC name of 10-(imidazole-1-carbonyl)-8-phenylthieno[2,3-a]quinolizin-7-one (CID 19353621) is 10-(imidazole-1-carbonyl)-8-phenylthieno[2,3-a]quinolizin-7-one.
What is the SMILES notation for 10-(imidazole-1-carbonyl)-8-phenylthieno[2,3-a]quinolizin-7-one?
The canonical SMILES for 10-(imidazole-1-carbonyl)-8-phenylthieno[2,3-a]quinolizin-7-one is O=C(c1cc(-c2ccccc2)c(=O)n2ccc3ccsc3c12)n1ccnc1.
What is the InChIKey of 10-(imidazole-1-carbonyl)-8-phenylthieno[2,3-a]quinolizin-7-one?
The InChIKey is VCUFEFCWGLBGQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13N3O2S/c25-20(23-10-8-22-13-23)17-12-16(14-4-2-1-3-5-14)21(26)24-9-6-15-7-11-27-19(15)18(17)24/h1-13H.
What are the key properties of 10-(imidazole-1-carbonyl)-8-phenylthieno[2,3-a]quinolizin-7-one?
10-(imidazole-1-carbonyl)-8-phenylthieno[2,3-a]quinolizin-7-one has a molecular weight of 371.42 g/mol, XLogP of 4.07, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(imidazole-1-carbonyl)-8-phenylthieno[2,3-a]quinolizin-7-one is sourced from PubChem (CID 19353621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).