4-[4-[3-[(2-methoxy-1,3-thiazol-4-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine

C22H27N5O2S — CID 71202759

IUPAC4-[4-[3-[(2-methoxy-1,3-thiazol-4-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine
SMILESCOc1nc(CC2CCCN(c3ncnc4cc(N5CCOCC5)ccc34)C2)cs1
InChIInChI=1S/C22H27N5O2S/c1-28-22-25-17(14-30-22)11-16-3-2-6-27(13-16)21-19-5-4-18(12-20(19)23-15-24-21)26-7-9-29-10-8-26/h4-5,12,14-16H,2-3,6-11,13H2,1H3
InChIKeyZHOHJTKKEJUVRO-UHFFFAOYSA-N
MW425.56 g/mol
LogP3.39
Rot. Bonds5

About 4-[4-[3-[(2-methoxy-1,3-thiazol-4-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine

4-[4-[3-[(2-methoxy-1,3-thiazol-4-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine (PubChem CID 71202759) has the molecular formula C22H27N5O2S and a molecular weight of 425.56 g/mol. Its IUPAC name is 4-[4-[3-[(2-methoxy-1,3-thiazol-4-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine.

Molecular Properties

Compound Name4-[4-[3-[(2-methoxy-1,3-thiazol-4-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine
PubChem CID71202759
Molecular FormulaC22H27N5O2S
Molecular Weight425.56 g/mol
Exact Mass425.19
IUPAC Name4-[4-[3-[(2-methoxy-1,3-thiazol-4-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine
SMILESCOc1nc(CC2CCCN(c3ncnc4cc(N5CCOCC5)ccc34)C2)cs1
InChIInChI=1S/C22H27N5O2S/c1-28-22-25-17(14-30-22)11-16-3-2-6-27(13-16)21-19-5-4-18(12-20(19)23-15-24-21)26-7-9-29-10-8-26/h4-5,12,14-16H,2-3,6-11,13H2,1H3
InChIKeyZHOHJTKKEJUVRO-UHFFFAOYSA-N
XLogP3.39
TPSA63.61 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.56
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-[4-[3-[(2-methoxy-1,3-thiazol-4-yl)methyl]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-[(2-methoxy-1,3-thiazol-4-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine?
The IUPAC name of 4-[4-[3-[(2-methoxy-1,3-thiazol-4-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine (CID 71202759) is 4-[4-[3-[(2-methoxy-1,3-thiazol-4-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine.
What is the SMILES notation for 4-[4-[3-[(2-methoxy-1,3-thiazol-4-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine?
The canonical SMILES for 4-[4-[3-[(2-methoxy-1,3-thiazol-4-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine is COc1nc(CC2CCCN(c3ncnc4cc(N5CCOCC5)ccc34)C2)cs1.
What is the InChIKey of 4-[4-[3-[(2-methoxy-1,3-thiazol-4-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine?
The InChIKey is ZHOHJTKKEJUVRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O2S/c1-28-22-25-17(14-30-22)11-16-3-2-6-27(13-16)21-19-5-4-18(12-20(19)23-15-24-21)26-7-9-29-10-8-26/h4-5,12,14-16H,2-3,6-11,13H2,1H3.
What are the key properties of 4-[4-[3-[(2-methoxy-1,3-thiazol-4-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine?
4-[4-[3-[(2-methoxy-1,3-thiazol-4-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine has a molecular weight of 425.56 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-[(2-methoxy-1,3-thiazol-4-yl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine is sourced from PubChem (CID 71202759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).