(4-hydroxypiperidin-1-yl)-[2-(3-methylsulfonylanilino)thieno[2,3-h]quinazolin-8-yl]methanone

C23H22N4O4S2 — CID 59262918

IUPAC(4-hydroxypiperidin-1-yl)-[2-(3-methylsulfonylanilino)thieno[2,3-h]quinazolin-8-yl]methanone
SMILESCS(=O)(=O)c1cccc(Nc2ncc3ccc4sc(C(=O)N5CCC(O)CC5)cc4c3n2)c1
InChIInChI=1S/C23H22N4O4S2/c1-33(30,31)17-4-2-3-15(11-17)25-23-24-13-14-5-6-19-18(21(14)26-23)12-20(32-19)22(29)27-9-7-16(28)8-10-27/h2-6,11-13,16,28H,7-10H2,1H3,(H,24,25,26)
InChIKeyKZLIDQFFSGZMIB-UHFFFAOYSA-N
MW482.59 g/mol
LogP3.59
Rot. Bonds4

About (4-hydroxypiperidin-1-yl)-[2-(3-methylsulfonylanilino)thieno[2,3-h]quinazolin-8-yl]methanone

(4-hydroxypiperidin-1-yl)-[2-(3-methylsulfonylanilino)thieno[2,3-h]quinazolin-8-yl]methanone (PubChem CID 59262918) has the molecular formula C23H22N4O4S2 and a molecular weight of 482.59 g/mol. Its IUPAC name is (4-hydroxypiperidin-1-yl)-[2-(3-methylsulfonylanilino)thieno[2,3-h]quinazolin-8-yl]methanone.

Molecular Properties

Compound Name(4-hydroxypiperidin-1-yl)-[2-(3-methylsulfonylanilino)thieno[2,3-h]quinazolin-8-yl]methanone
PubChem CID59262918
Molecular FormulaC23H22N4O4S2
Molecular Weight482.59 g/mol
Exact Mass482.11
IUPAC Name(4-hydroxypiperidin-1-yl)-[2-(3-methylsulfonylanilino)thieno[2,3-h]quinazolin-8-yl]methanone
SMILESCS(=O)(=O)c1cccc(Nc2ncc3ccc4sc(C(=O)N5CCC(O)CC5)cc4c3n2)c1
InChIInChI=1S/C23H22N4O4S2/c1-33(30,31)17-4-2-3-15(11-17)25-23-24-13-14-5-6-19-18(21(14)26-23)12-20(32-19)22(29)27-9-7-16(28)8-10-27/h2-6,11-13,16,28H,7-10H2,1H3,(H,24,25,26)
InChIKeyKZLIDQFFSGZMIB-UHFFFAOYSA-N
XLogP3.59
TPSA112.49 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.59
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (4-hydroxypiperidin-1-yl)-[2-(3-methylsulfonylanilino)thieno[2,3-h]quinazolin-8-yl]methanone?
The IUPAC name of (4-hydroxypiperidin-1-yl)-[2-(3-methylsulfonylanilino)thieno[2,3-h]quinazolin-8-yl]methanone (CID 59262918) is (4-hydroxypiperidin-1-yl)-[2-(3-methylsulfonylanilino)thieno[2,3-h]quinazolin-8-yl]methanone.
What is the SMILES notation for (4-hydroxypiperidin-1-yl)-[2-(3-methylsulfonylanilino)thieno[2,3-h]quinazolin-8-yl]methanone?
The canonical SMILES for (4-hydroxypiperidin-1-yl)-[2-(3-methylsulfonylanilino)thieno[2,3-h]quinazolin-8-yl]methanone is CS(=O)(=O)c1cccc(Nc2ncc3ccc4sc(C(=O)N5CCC(O)CC5)cc4c3n2)c1.
What is the InChIKey of (4-hydroxypiperidin-1-yl)-[2-(3-methylsulfonylanilino)thieno[2,3-h]quinazolin-8-yl]methanone?
The InChIKey is KZLIDQFFSGZMIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O4S2/c1-33(30,31)17-4-2-3-15(11-17)25-23-24-13-14-5-6-19-18(21(14)26-23)12-20(32-19)22(29)27-9-7-16(28)8-10-27/h2-6,11-13,16,28H,7-10H2,1H3,(H,24,25,26).
What are the key properties of (4-hydroxypiperidin-1-yl)-[2-(3-methylsulfonylanilino)thieno[2,3-h]quinazolin-8-yl]methanone?
(4-hydroxypiperidin-1-yl)-[2-(3-methylsulfonylanilino)thieno[2,3-h]quinazolin-8-yl]methanone has a molecular weight of 482.59 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxypiperidin-1-yl)-[2-(3-methylsulfonylanilino)thieno[2,3-h]quinazolin-8-yl]methanone is sourced from PubChem (CID 59262918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).