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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Related Compounds

4-[3-[4-chloro-5-(oxan-4-yloxy)quinazolin-7-yl]oxypropyl]morpholine
CID 86601567
4-chloro-5-(oxan-4-yloxy)-7-(3-pyrrolidin-1-ylpropoxy)quinazoline
CID 22140750
N-[7-(3-morpholin-4-ylpropoxy)-5-(oxan-4-yloxy)quinazolin-4-yl]-1,3,4-thiadiazol-2-amine
CID 118101348
5-(oxan-4-yloxy)-7-(2-piperidin-1-ylethoxy)-3H-quinazolin-4-one
CID 136931829
N-(2,3-dihydro-1,4-benzodioxin-5-yl)-5-(oxan-4-yloxy)-7-(2-pyrrolidin-1-ylethoxy)quinazolin-4-amine;hydrochloride
CID 11974114
N-(1,3-benzodioxol-4-yl)-5-(oxan-4-yloxy)-7-(2-pyrrolidin-1-ylethoxy)quinazolin-4-amine
CID 11974021
N-(2,4-dichloro-5-methoxyphenyl)-7-[2-(4-methylpiperazin-1-yl)ethoxy]-5-(oxan-4-yloxy)quinazolin-4-amine
CID 10144363
N-(5-chloro-2,2-dideuterio-1,3-benzodioxol-4-yl)-5-(oxan-4-yloxy)-7-[2-[4-(trideuteriomethyl)piperazin-1-yl]ethoxy]quinazolin-4-amine
CID 138698452
N-(5-chloro-1,3-benzodioxol-4-yl)-5-(oxan-4-yloxy)-7-[2-[4-(trideuteriomethyl)piperazin-1-yl]ethoxy]quinazolin-4-amine
CID 173003015
1-morpholin-4-yl-3-[5-(oxan-4-yloxy)quinazolin-7-yl]oxypropan-2-ol
CID 91578906
1-[4-[2-[4-[(6-chloro-[1,3]dioxolo[4,5-b]pyridin-7-yl)amino]-5-(oxan-4-yloxy)quinolin-7-yl]oxyethyl]piperazin-1-yl]ethanone
CID 42629926
N-(3-chloro-4-fluorophenyl)-7-[3-(4-methylpiperazin-1-yl)propoxy]-5-(oxolan-3-yloxy)quinazolin-4-amine
CID 10186116

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).