4-[4-[3-[(3-methoxyphenyl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine

C25H30N4O2 — CID 53467769

IUPAC4-[4-[3-[(3-methoxyphenyl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine
SMILESCOc1cccc(CC2CCCN(c3ncnc4cc(N5CCOCC5)ccc34)C2)c1
InChIInChI=1S/C25H30N4O2/c1-30-22-6-2-4-19(15-22)14-20-5-3-9-29(17-20)25-23-8-7-21(16-24(23)26-18-27-25)28-10-12-31-13-11-28/h2,4,6-8,15-16,18,20H,3,5,9-14,17H2,1H3
InChIKeyQXUMCMWLWFPOQC-UHFFFAOYSA-N
MW418.54 g/mol
LogP3.93
Rot. Bonds5

About 4-[4-[3-[(3-methoxyphenyl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine

4-[4-[3-[(3-methoxyphenyl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine (PubChem CID 53467769) has the molecular formula C25H30N4O2 and a molecular weight of 418.54 g/mol. Its IUPAC name is 4-[4-[3-[(3-methoxyphenyl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine.

Molecular Properties

Compound Name4-[4-[3-[(3-methoxyphenyl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine
PubChem CID53467769
Molecular FormulaC25H30N4O2
Molecular Weight418.54 g/mol
Exact Mass418.24
IUPAC Name4-[4-[3-[(3-methoxyphenyl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine
SMILESCOc1cccc(CC2CCCN(c3ncnc4cc(N5CCOCC5)ccc34)C2)c1
InChIInChI=1S/C25H30N4O2/c1-30-22-6-2-4-19(15-22)14-20-5-3-9-29(17-20)25-23-8-7-21(16-24(23)26-18-27-25)28-10-12-31-13-11-28/h2,4,6-8,15-16,18,20H,3,5,9-14,17H2,1H3
InChIKeyQXUMCMWLWFPOQC-UHFFFAOYSA-N
XLogP3.93
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-[(3-methoxyphenyl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine?
The IUPAC name of 4-[4-[3-[(3-methoxyphenyl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine (CID 53467769) is 4-[4-[3-[(3-methoxyphenyl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine.
What is the SMILES notation for 4-[4-[3-[(3-methoxyphenyl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine?
The canonical SMILES for 4-[4-[3-[(3-methoxyphenyl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine is COc1cccc(CC2CCCN(c3ncnc4cc(N5CCOCC5)ccc34)C2)c1.
What is the InChIKey of 4-[4-[3-[(3-methoxyphenyl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine?
The InChIKey is QXUMCMWLWFPOQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O2/c1-30-22-6-2-4-19(15-22)14-20-5-3-9-29(17-20)25-23-8-7-21(16-24(23)26-18-27-25)28-10-12-31-13-11-28/h2,4,6-8,15-16,18,20H,3,5,9-14,17H2,1H3.
What are the key properties of 4-[4-[3-[(3-methoxyphenyl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine?
4-[4-[3-[(3-methoxyphenyl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine has a molecular weight of 418.54 g/mol, XLogP of 3.93, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-[(3-methoxyphenyl)methyl]piperidin-1-yl]quinazolin-7-yl]morpholine is sourced from PubChem (CID 53467769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).