4-[4-[3-(1-benzothiophen-2-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine

C26H28N4OS — CID 71183803

IUPAC4-[4-[3-(1-benzothiophen-2-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine
SMILESc1ccc2sc(CC3CCCN(c4ncnc5cc(N6CCOCC6)ccc45)C3)cc2c1
InChIInChI=1S/C26H28N4OS/c1-2-6-25-20(5-1)15-22(32-25)14-19-4-3-9-30(17-19)26-23-8-7-21(16-24(23)27-18-28-26)29-10-12-31-13-11-29/h1-2,5-8,15-16,18-19H,3-4,9-14,17H2
InChIKeyRAUFNYDOHVPKJZ-UHFFFAOYSA-N
MW444.60 g/mol
LogP5.14
Rot. Bonds4

About 4-[4-[3-(1-benzothiophen-2-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine

4-[4-[3-(1-benzothiophen-2-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine (PubChem CID 71183803) has the molecular formula C26H28N4OS and a molecular weight of 444.60 g/mol. Its IUPAC name is 4-[4-[3-(1-benzothiophen-2-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine.

Molecular Properties

Compound Name4-[4-[3-(1-benzothiophen-2-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine
PubChem CID71183803
Molecular FormulaC26H28N4OS
Molecular Weight444.60 g/mol
Exact Mass444.20
IUPAC Name4-[4-[3-(1-benzothiophen-2-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine
SMILESc1ccc2sc(CC3CCCN(c4ncnc5cc(N6CCOCC6)ccc45)C3)cc2c1
InChIInChI=1S/C26H28N4OS/c1-2-6-25-20(5-1)15-22(32-25)14-19-4-3-9-30(17-19)26-23-8-7-21(16-24(23)27-18-28-26)29-10-12-31-13-11-29/h1-2,5-8,15-16,18-19H,3-4,9-14,17H2
InChIKeyRAUFNYDOHVPKJZ-UHFFFAOYSA-N
XLogP5.14
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.60
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-(1-benzothiophen-2-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine?
The IUPAC name of 4-[4-[3-(1-benzothiophen-2-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine (CID 71183803) is 4-[4-[3-(1-benzothiophen-2-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine.
What is the SMILES notation for 4-[4-[3-(1-benzothiophen-2-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine?
The canonical SMILES for 4-[4-[3-(1-benzothiophen-2-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine is c1ccc2sc(CC3CCCN(c4ncnc5cc(N6CCOCC6)ccc45)C3)cc2c1.
What is the InChIKey of 4-[4-[3-(1-benzothiophen-2-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine?
The InChIKey is RAUFNYDOHVPKJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4OS/c1-2-6-25-20(5-1)15-22(32-25)14-19-4-3-9-30(17-19)26-23-8-7-21(16-24(23)27-18-28-26)29-10-12-31-13-11-29/h1-2,5-8,15-16,18-19H,3-4,9-14,17H2.
What are the key properties of 4-[4-[3-(1-benzothiophen-2-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine?
4-[4-[3-(1-benzothiophen-2-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine has a molecular weight of 444.60 g/mol, XLogP of 5.14, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-(1-benzothiophen-2-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine is sourced from PubChem (CID 71183803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).