N-[7-(2-morpholin-4-ylethoxy)-5-(oxan-4-yloxy)quinazolin-4-yl]methanimine

C20H26N4O4 — CID 144849149

IUPACN-[7-(2-morpholin-4-ylethoxy)-5-(oxan-4-yloxy)quinazolin-4-yl]methanimine
SMILESC=Nc1ncnc2cc(OCCN3CCOCC3)cc(OC3CCOCC3)c12
InChIInChI=1S/C20H26N4O4/c1-21-20-19-17(22-14-23-20)12-16(27-11-6-24-4-9-26-10-5-24)13-18(19)28-15-2-7-25-8-3-15/h12-15H,1-11H2
InChIKeyWOZWYJSMOBPFMX-UHFFFAOYSA-N
MW386.45 g/mol
LogP2.23
Rot. Bonds7

About N-[7-(2-morpholin-4-ylethoxy)-5-(oxan-4-yloxy)quinazolin-4-yl]methanimine

N-[7-(2-morpholin-4-ylethoxy)-5-(oxan-4-yloxy)quinazolin-4-yl]methanimine (PubChem CID 144849149) has the molecular formula C20H26N4O4 and a molecular weight of 386.45 g/mol. Its IUPAC name is N-[7-(2-morpholin-4-ylethoxy)-5-(oxan-4-yloxy)quinazolin-4-yl]methanimine.

Molecular Properties

Compound NameN-[7-(2-morpholin-4-ylethoxy)-5-(oxan-4-yloxy)quinazolin-4-yl]methanimine
PubChem CID144849149
Molecular FormulaC20H26N4O4
Molecular Weight386.45 g/mol
Exact Mass386.20
IUPAC NameN-[7-(2-morpholin-4-ylethoxy)-5-(oxan-4-yloxy)quinazolin-4-yl]methanimine
SMILESC=Nc1ncnc2cc(OCCN3CCOCC3)cc(OC3CCOCC3)c12
InChIInChI=1S/C20H26N4O4/c1-21-20-19-17(22-14-23-20)12-16(27-11-6-24-4-9-26-10-5-24)13-18(19)28-15-2-7-25-8-3-15/h12-15H,1-11H2
InChIKeyWOZWYJSMOBPFMX-UHFFFAOYSA-N
XLogP2.23
TPSA78.30 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[7-(2-morpholin-4-ylethoxy)-5-(oxan-4-yloxy)quinazolin-4-yl]methanimine?
The IUPAC name of N-[7-(2-morpholin-4-ylethoxy)-5-(oxan-4-yloxy)quinazolin-4-yl]methanimine (CID 144849149) is N-[7-(2-morpholin-4-ylethoxy)-5-(oxan-4-yloxy)quinazolin-4-yl]methanimine.
What is the SMILES notation for N-[7-(2-morpholin-4-ylethoxy)-5-(oxan-4-yloxy)quinazolin-4-yl]methanimine?
The canonical SMILES for N-[7-(2-morpholin-4-ylethoxy)-5-(oxan-4-yloxy)quinazolin-4-yl]methanimine is C=Nc1ncnc2cc(OCCN3CCOCC3)cc(OC3CCOCC3)c12.
What is the InChIKey of N-[7-(2-morpholin-4-ylethoxy)-5-(oxan-4-yloxy)quinazolin-4-yl]methanimine?
The InChIKey is WOZWYJSMOBPFMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O4/c1-21-20-19-17(22-14-23-20)12-16(27-11-6-24-4-9-26-10-5-24)13-18(19)28-15-2-7-25-8-3-15/h12-15H,1-11H2.
What are the key properties of N-[7-(2-morpholin-4-ylethoxy)-5-(oxan-4-yloxy)quinazolin-4-yl]methanimine?
N-[7-(2-morpholin-4-ylethoxy)-5-(oxan-4-yloxy)quinazolin-4-yl]methanimine has a molecular weight of 386.45 g/mol, XLogP of 2.23, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(2-morpholin-4-ylethoxy)-5-(oxan-4-yloxy)quinazolin-4-yl]methanimine is sourced from PubChem (CID 144849149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).