4-[6-(3-methylphenyl)-2-(2-piperidin-1-ylethoxy)quinazolin-4-yl]morpholine

C26H32N4O2 — CID 143533307

IUPAC4-[6-(3-methylphenyl)-2-(2-piperidin-1-ylethoxy)quinazolin-4-yl]morpholine
SMILESCc1cccc(-c2ccc3nc(OCCN4CCCCC4)nc(N4CCOCC4)c3c2)c1
InChIInChI=1S/C26H32N4O2/c1-20-6-5-7-21(18-20)22-8-9-24-23(19-22)25(30-13-15-31-16-14-30)28-26(27-24)32-17-12-29-10-3-2-4-11-29/h5-9,18-19H,2-4,10-17H2,1H3
InChIKeyHPEMXGDDMQPPSG-UHFFFAOYSA-N
MW432.57 g/mol
LogP4.31
Rot. Bonds6

About 4-[6-(3-methylphenyl)-2-(2-piperidin-1-ylethoxy)quinazolin-4-yl]morpholine

4-[6-(3-methylphenyl)-2-(2-piperidin-1-ylethoxy)quinazolin-4-yl]morpholine (PubChem CID 143533307) has the molecular formula C26H32N4O2 and a molecular weight of 432.57 g/mol. Its IUPAC name is 4-[6-(3-methylphenyl)-2-(2-piperidin-1-ylethoxy)quinazolin-4-yl]morpholine.

Molecular Properties

Compound Name4-[6-(3-methylphenyl)-2-(2-piperidin-1-ylethoxy)quinazolin-4-yl]morpholine
PubChem CID143533307
Molecular FormulaC26H32N4O2
Molecular Weight432.57 g/mol
Exact Mass432.25
IUPAC Name4-[6-(3-methylphenyl)-2-(2-piperidin-1-ylethoxy)quinazolin-4-yl]morpholine
SMILESCc1cccc(-c2ccc3nc(OCCN4CCCCC4)nc(N4CCOCC4)c3c2)c1
InChIInChI=1S/C26H32N4O2/c1-20-6-5-7-21(18-20)22-8-9-24-23(19-22)25(30-13-15-31-16-14-30)28-26(27-24)32-17-12-29-10-3-2-4-11-29/h5-9,18-19H,2-4,10-17H2,1H3
InChIKeyHPEMXGDDMQPPSG-UHFFFAOYSA-N
XLogP4.31
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.57
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(3-methylphenyl)-2-(2-piperidin-1-ylethoxy)quinazolin-4-yl]morpholine?
The IUPAC name of 4-[6-(3-methylphenyl)-2-(2-piperidin-1-ylethoxy)quinazolin-4-yl]morpholine (CID 143533307) is 4-[6-(3-methylphenyl)-2-(2-piperidin-1-ylethoxy)quinazolin-4-yl]morpholine.
What is the SMILES notation for 4-[6-(3-methylphenyl)-2-(2-piperidin-1-ylethoxy)quinazolin-4-yl]morpholine?
The canonical SMILES for 4-[6-(3-methylphenyl)-2-(2-piperidin-1-ylethoxy)quinazolin-4-yl]morpholine is Cc1cccc(-c2ccc3nc(OCCN4CCCCC4)nc(N4CCOCC4)c3c2)c1.
What is the InChIKey of 4-[6-(3-methylphenyl)-2-(2-piperidin-1-ylethoxy)quinazolin-4-yl]morpholine?
The InChIKey is HPEMXGDDMQPPSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O2/c1-20-6-5-7-21(18-20)22-8-9-24-23(19-22)25(30-13-15-31-16-14-30)28-26(27-24)32-17-12-29-10-3-2-4-11-29/h5-9,18-19H,2-4,10-17H2,1H3.
What are the key properties of 4-[6-(3-methylphenyl)-2-(2-piperidin-1-ylethoxy)quinazolin-4-yl]morpholine?
4-[6-(3-methylphenyl)-2-(2-piperidin-1-ylethoxy)quinazolin-4-yl]morpholine has a molecular weight of 432.57 g/mol, XLogP of 4.31, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(3-methylphenyl)-2-(2-piperidin-1-ylethoxy)quinazolin-4-yl]morpholine is sourced from PubChem (CID 143533307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).