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

C22H26N4OS — CID 53467982

IUPAC4-[4-[3-(thiophen-2-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine
SMILESc1csc(CC2CCCN(c3ncnc4cc(N5CCOCC5)ccc34)C2)c1
InChIInChI=1S/C22H26N4OS/c1-3-17(13-19-4-2-12-28-19)15-26(7-1)22-20-6-5-18(14-21(20)23-16-24-22)25-8-10-27-11-9-25/h2,4-6,12,14,16-17H,1,3,7-11,13,15H2
InChIKeyQXFFCENPWAUOCR-UHFFFAOYSA-N
MW394.54 g/mol
LogP3.99
Rot. Bonds4

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

4-[4-[3-(thiophen-2-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine (PubChem CID 53467982) has the molecular formula C22H26N4OS and a molecular weight of 394.54 g/mol. Its IUPAC name is 4-[4-[3-(thiophen-2-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine.

Molecular Properties

Compound Name4-[4-[3-(thiophen-2-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine
PubChem CID53467982
Molecular FormulaC22H26N4OS
Molecular Weight394.54 g/mol
Exact Mass394.18
IUPAC Name4-[4-[3-(thiophen-2-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine
SMILESc1csc(CC2CCCN(c3ncnc4cc(N5CCOCC5)ccc34)C2)c1
InChIInChI=1S/C22H26N4OS/c1-3-17(13-19-4-2-12-28-19)15-26(7-1)22-20-6-5-18(14-21(20)23-16-24-22)25-8-10-27-11-9-25/h2,4-6,12,14,16-17H,1,3,7-11,13,15H2
InChIKeyQXFFCENPWAUOCR-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

Analyze 4-[4-[3-(thiophen-2-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine 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 4-[4-[3-(thiophen-2-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine?
The IUPAC name of 4-[4-[3-(thiophen-2-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine (CID 53467982) is 4-[4-[3-(thiophen-2-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine.
What is the SMILES notation for 4-[4-[3-(thiophen-2-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine?
The canonical SMILES for 4-[4-[3-(thiophen-2-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine is c1csc(CC2CCCN(c3ncnc4cc(N5CCOCC5)ccc34)C2)c1.
What is the InChIKey of 4-[4-[3-(thiophen-2-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine?
The InChIKey is QXFFCENPWAUOCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4OS/c1-3-17(13-19-4-2-12-28-19)15-26(7-1)22-20-6-5-18(14-21(20)23-16-24-22)25-8-10-27-11-9-25/h2,4-6,12,14,16-17H,1,3,7-11,13,15H2.
What are the key properties of 4-[4-[3-(thiophen-2-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine?
4-[4-[3-(thiophen-2-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-2-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine is sourced from PubChem (CID 53467982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).