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

C21H24ClN5OS — CID 53467981

IUPAC4-[2-chloro-4-[3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine
SMILESClc1nc(N2CCCC(Cc3nccs3)C2)c2ccc(N3CCOCC3)cc2n1
InChIInChI=1S/C21H24ClN5OS/c22-21-24-18-13-16(26-7-9-28-10-8-26)3-4-17(18)20(25-21)27-6-1-2-15(14-27)12-19-23-5-11-29-19/h3-5,11,13,15H,1-2,6-10,12,14H2
InChIKeyUAESOZMDFJQGFN-UHFFFAOYSA-N
MW429.98 g/mol
LogP4.04
Rot. Bonds4

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

4-[2-chloro-4-[3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine (PubChem CID 53467981) has the molecular formula C21H24ClN5OS and a molecular weight of 429.98 g/mol. Its IUPAC name is 4-[2-chloro-4-[3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine.

Molecular Properties

Compound Name4-[2-chloro-4-[3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine
PubChem CID53467981
Molecular FormulaC21H24ClN5OS
Molecular Weight429.98 g/mol
Exact Mass429.14
IUPAC Name4-[2-chloro-4-[3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine
SMILESClc1nc(N2CCCC(Cc3nccs3)C2)c2ccc(N3CCOCC3)cc2n1
InChIInChI=1S/C21H24ClN5OS/c22-21-24-18-13-16(26-7-9-28-10-8-26)3-4-17(18)20(25-21)27-6-1-2-15(14-27)12-19-23-5-11-29-19/h3-5,11,13,15H,1-2,6-10,12,14H2
InChIKeyUAESOZMDFJQGFN-UHFFFAOYSA-N
XLogP4.04
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.98
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[2-chloro-4-[3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine?
The IUPAC name of 4-[2-chloro-4-[3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine (CID 53467981) is 4-[2-chloro-4-[3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine.
What is the SMILES notation for 4-[2-chloro-4-[3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine?
The canonical SMILES for 4-[2-chloro-4-[3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine is Clc1nc(N2CCCC(Cc3nccs3)C2)c2ccc(N3CCOCC3)cc2n1.
What is the InChIKey of 4-[2-chloro-4-[3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine?
The InChIKey is UAESOZMDFJQGFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN5OS/c22-21-24-18-13-16(26-7-9-28-10-8-26)3-4-17(18)20(25-21)27-6-1-2-15(14-27)12-19-23-5-11-29-19/h3-5,11,13,15H,1-2,6-10,12,14H2.
What are the key properties of 4-[2-chloro-4-[3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine?
4-[2-chloro-4-[3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine has a molecular weight of 429.98 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-chloro-4-[3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]quinazolin-7-yl]morpholine is sourced from PubChem (CID 53467981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).