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

C22H26N4OS — CID 53467768

IUPAC4-[4-[3-(thiophen-3-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine
SMILESc1nc(N2CCCC(Cc3ccsc3)C2)c2ccc(N3CCOCC3)cc2n1
InChIInChI=1S/C22H26N4OS/c1-2-17(12-18-5-11-28-15-18)14-26(6-1)22-20-4-3-19(13-21(20)23-16-24-22)25-7-9-27-10-8-25/h3-5,11,13,15-17H,1-2,6-10,12,14H2
InChIKeyXMOIAPUSYJJYHK-UHFFFAOYSA-N
MW394.54 g/mol
LogP3.99
Rot. Bonds4

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

4-[4-[3-(thiophen-3-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine (PubChem CID 53467768) has the molecular formula C22H26N4OS and a molecular weight of 394.54 g/mol. Its IUPAC name is 4-[4-[3-(thiophen-3-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine.

Molecular Properties

Compound Name4-[4-[3-(thiophen-3-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine
PubChem CID53467768
Molecular FormulaC22H26N4OS
Molecular Weight394.54 g/mol
Exact Mass394.18
IUPAC Name4-[4-[3-(thiophen-3-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine
SMILESc1nc(N2CCCC(Cc3ccsc3)C2)c2ccc(N3CCOCC3)cc2n1
InChIInChI=1S/C22H26N4OS/c1-2-17(12-18-5-11-28-15-18)14-26(6-1)22-20-4-3-19(13-21(20)23-16-24-22)25-7-9-27-10-8-25/h3-5,11,13,15-17H,1-2,6-10,12,14H2
InChIKeyXMOIAPUSYJJYHK-UHFFFAOYSA-N
XLogP3.99
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.54
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-(thiophen-3-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine?
The IUPAC name of 4-[4-[3-(thiophen-3-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine (CID 53467768) is 4-[4-[3-(thiophen-3-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine.
What is the SMILES notation for 4-[4-[3-(thiophen-3-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine?
The canonical SMILES for 4-[4-[3-(thiophen-3-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine is c1nc(N2CCCC(Cc3ccsc3)C2)c2ccc(N3CCOCC3)cc2n1.
What is the InChIKey of 4-[4-[3-(thiophen-3-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine?
The InChIKey is XMOIAPUSYJJYHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4OS/c1-2-17(12-18-5-11-28-15-18)14-26(6-1)22-20-4-3-19(13-21(20)23-16-24-22)25-7-9-27-10-8-25/h3-5,11,13,15-17H,1-2,6-10,12,14H2.
What are the key properties of 4-[4-[3-(thiophen-3-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine?
4-[4-[3-(thiophen-3-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine has a molecular weight of 394.54 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-(thiophen-3-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine is sourced from PubChem (CID 53467768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).