2-(3-chloroquinolin-6-yl)oxy-N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-ylpyrimidin-4-amine;2-(3-fluoroquinolin-6-yl)oxy-N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-ylpyrimidin-4-amine;N-[(E)-(3-methylphenyl)methylideneamino]-2-(4-methylquinolin-6-yl)oxy-6-morpholin-4-ylpyrimidin-4-amine;N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-2-(1-pyrimidin-2-ylpropoxy)pyrimidin-4-amine

C99H99ClFN25O8 — CID 172956795

IUPAC2-(3-chloroquinolin-6-yl)oxy-N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-ylpyrimidin-4-amine;2-(3-fluoroquinolin-6-yl)oxy-N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-ylpyrimidin-4-amine;N-[(E)-(3-methylphenyl)methylideneamino]-2-(4-methylquinolin-6-yl)oxy-6-morpholin-4-ylpyrimidin-4-amine;N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-2-(1-pyrimidin-2-ylpropoxy)pyrimidin-4-amine
SMILESCCC(Oc1nc(N/N=C/c2cccc(C)c2)cc(N2CCOCC2)n1)c1ncccn1.Cc1cccc(/C=N/Nc2cc(N3CCOCC3)nc(Oc3ccc4ncc(Cl)cc4c3)n2)c1.Cc1cccc(/C=N/Nc2cc(N3CCOCC3)nc(Oc3ccc4ncc(F)cc4c3)n2)c1.Cc1cccc(/C=N/Nc2cc(N3CCOCC3)nc(Oc3ccc4nccc(C)c4c3)n2)c1
InChIInChI=1S/C26H26N6O2.C25H23ClN6O2.C25H23FN6O2.C23H27N7O2/c1-18-4-3-5-20(14-18)17-28-31-24-16-25(32-10-12-33-13-11-32)30-26(29-24)34-21-6-7-23-22(15-21)19(2)8-9-27-23;2*1-17-3-2-4-18(11-17)15-28-31-23-14-24(32-7-9-33-10-8-32)30-25(29-23)34-21-5-6-22-19(13-21)12-20(26)16-27-22;1-3-19(22-24-8-5-9-25-22)32-23-27-20(15-21(28-23)30-10-12-31-13-11-30)29-26-16-18-7-4-6-17(2)14-18/h3-9,14-17H,10-13H2,1-2H3,(H,29,30,31);2*2-6,11-16H,7-10H2,1H3,(H,29,30,31);4-9,14-16,19H,3,10-13H2,1-2H3,(H,27,28,29)/b28-17+;2*28-15+;26-16+
InChIKeyIVMKMNROWBVHAN-WFLBLDAXSA-N
MW1821.50 g/mol
LogP17.71
Rot. Bonds26

About 2-(3-chloroquinolin-6-yl)oxy-N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-ylpyrimidin-4-amine;2-(3-fluoroquinolin-6-yl)oxy-N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-ylpyrimidin-4-amine;N-[(E)-(3-methylphenyl)methylideneamino]-2-(4-methylquinolin-6-yl)oxy-6-morpholin-4-ylpyrimidin-4-amine;N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-2-(1-pyrimidin-2-ylpropoxy)pyrimidin-4-amine

2-(3-chloroquinolin-6-yl)oxy-N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-ylpyrimidin-4-amine;2-(3-fluoroquinolin-6-yl)oxy-N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-ylpyrimidin-4-amine;N-[(E)-(3-methylphenyl)methylideneamino]-2-(4-methylquinolin-6-yl)oxy-6-morpholin-4-ylpyrimidin-4-amine;N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-2-(1-pyrimidin-2-ylpropoxy)pyrimidin-4-amine (PubChem CID 172956795) has the molecular formula C99H99ClFN25O8 and a molecular weight of 1821.50 g/mol. Its IUPAC name is 2-(3-chloroquinolin-6-yl)oxy-N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-ylpyrimidin-4-amine;2-(3-fluoroquinolin-6-yl)oxy-N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-ylpyrimidin-4-amine;N-[(E)-(3-methylphenyl)methylideneamino]-2-(4-methylquinolin-6-yl)oxy-6-morpholin-4-ylpyrimidin-4-amine;N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-2-(1-pyrimidin-2-ylpropoxy)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(3-chloroquinolin-6-yl)oxy-N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-ylpyrimidin-4-amine;2-(3-fluoroquinolin-6-yl)oxy-N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-ylpyrimidin-4-amine;N-[(E)-(3-methylphenyl)methylideneamino]-2-(4-methylquinolin-6-yl)oxy-6-morpholin-4-ylpyrimidin-4-amine;N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-2-(1-pyrimidin-2-ylpropoxy)pyrimidin-4-amine
PubChem CID172956795
Molecular FormulaC99H99ClFN25O8
Molecular Weight1821.50 g/mol
Exact Mass1819.78
IUPAC Name2-(3-chloroquinolin-6-yl)oxy-N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-ylpyrimidin-4-amine;2-(3-fluoroquinolin-6-yl)oxy-N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-ylpyrimidin-4-amine;N-[(E)-(3-methylphenyl)methylideneamino]-2-(4-methylquinolin-6-yl)oxy-6-morpholin-4-ylpyrimidin-4-amine;N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-2-(1-pyrimidin-2-ylpropoxy)pyrimidin-4-amine
SMILESCCC(Oc1nc(N/N=C/c2cccc(C)c2)cc(N2CCOCC2)n1)c1ncccn1.Cc1cccc(/C=N/Nc2cc(N3CCOCC3)nc(Oc3ccc4ncc(Cl)cc4c3)n2)c1.Cc1cccc(/C=N/Nc2cc(N3CCOCC3)nc(Oc3ccc4ncc(F)cc4c3)n2)c1.Cc1cccc(/C=N/Nc2cc(N3CCOCC3)nc(Oc3ccc4nccc(C)c4c3)n2)c1
InChIInChI=1S/C26H26N6O2.C25H23ClN6O2.C25H23FN6O2.C23H27N7O2/c1-18-4-3-5-20(14-18)17-28-31-24-16-25(32-10-12-33-13-11-32)30-26(29-24)34-21-6-7-23-22(15-21)19(2)8-9-27-23;2*1-17-3-2-4-18(11-17)15-28-31-23-14-24(32-7-9-33-10-8-32)30-25(29-23)34-21-5-6-22-19(13-21)12-20(26)16-27-22;1-3-19(22-24-8-5-9-25-22)32-23-27-20(15-21(28-23)30-10-12-31-13-11-30)29-26-16-18-7-4-6-17(2)14-18/h3-9,14-17H,10-13H2,1-2H3,(H,29,30,31);2*2-6,11-16H,7-10H2,1H3,(H,29,30,31);4-9,14-16,19H,3,10-13H2,1-2H3,(H,27,28,29)/b28-17+;2*28-15+;26-16+
InChIKeyIVMKMNROWBVHAN-WFLBLDAXSA-N
XLogP17.71
TPSA351.93 Ų
H-Bond Donors4
H-Bond Acceptors33
Rotatable Bonds26
Heavy Atoms134
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001821.50
LogP ≤ 517.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

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

Analyze 2-(3-chloroquinolin-6-yl)oxy-N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-ylpyrimidin-4-amine;2-(3-fluoroquinolin-6-yl)oxy-N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-ylpyrimidin-4-amine;N-[(E)-(3-methylphenyl)methylideneamino]-2-(4-methylquinolin-6-yl)oxy-6-morpholin-4-ylpyrimidin-4-amine;N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-2-(1-pyrimidin-2-ylpropoxy)pyrimidin-4-amine with MolForge

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Related Compounds

N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-2-pyridin-3-yloxypyrimidin-4-amine
CID 10194138
N-[(3-fluorophenyl)methylideneamino]-6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine
CID 66681810
N-[(E)-(3-chlorophenyl)methylideneamino]-6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine;N-[(E)-(3-fluorophenyl)methylideneamino]-6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine;N-[(E)-(3-iodophenyl)methylideneamino]-6-morpholin-4-yl-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine;1-[2-[4-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-6-morpholin-4-ylpyrimidin-2-yl]oxyethyl]pyridin-2-one
CID 172951665
4-N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine;N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-2-pyridin-2-yloxypyrimidin-4-amine;N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-2-(1-pyridin-2-ylpropan-2-yloxy)pyrimidin-4-amine;N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-2-(2-pyrimidin-2-ylethoxy)pyrimidin-4-amine
CID 172946817
2-[4-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-6-morpholin-4-ylpyrimidin-2-yl]oxyethyl morpholine-4-carboxylate
CID 58613205
N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-4-(2-morpholin-4-ylethoxy)pyridin-2-amine
CID 59673900
N-[(3-methylphenyl)methylideneamino]-2-(2-morpholin-4-ylethoxy)-6-(1,3-thiazolidin-3-yl)pyrimidin-4-amine
CID 66683532
6-(azetidin-1-yl)-N-[(3-methylphenyl)methylideneamino]-2-(2-pyridin-2-ylethoxy)pyrimidin-4-amine
CID 66681684
2-N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-4-N-(2-morpholin-4-ylethyl)pyridine-2,4-diamine
CID 11453023
3-[4-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-6-morpholin-4-ylpyrimidin-2-yl]-1-pyridin-2-ylpropan-1-ol
CID 11293401
N-[(E)-(3-methylphenyl)methylideneamino]-6-piperidin-1-yl-2-(2-pyridin-3-yloxyethoxy)pyrimidin-4-amine
CID 89163617
N-[(E)-(3-methylphenyl)methylideneamino]-7-morpholin-4-yl-2-pyrazin-2-ylpyrazolo[1,5-a]pyrimidin-5-amine
CID 173486980

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloroquinolin-6-yl)oxy-N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-ylpyrimidin-4-amine;2-(3-fluoroquinolin-6-yl)oxy-N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-ylpyrimidin-4-amine;N-[(E)-(3-methylphenyl)methylideneamino]-2-(4-methylquinolin-6-yl)oxy-6-morpholin-4-ylpyrimidin-4-amine;N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-2-(1-pyrimidin-2-ylpropoxy)pyrimidin-4-amine?
The IUPAC name of 2-(3-chloroquinolin-6-yl)oxy-N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-ylpyrimidin-4-amine;2-(3-fluoroquinolin-6-yl)oxy-N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-ylpyrimidin-4-amine;N-[(E)-(3-methylphenyl)methylideneamino]-2-(4-methylquinolin-6-yl)oxy-6-morpholin-4-ylpyrimidin-4-amine;N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-2-(1-pyrimidin-2-ylpropoxy)pyrimidin-4-amine (CID 172956795) is 2-(3-chloroquinolin-6-yl)oxy-N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-ylpyrimidin-4-amine;2-(3-fluoroquinolin-6-yl)oxy-N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-ylpyrimidin-4-amine;N-[(E)-(3-methylphenyl)methylideneamino]-2-(4-methylquinolin-6-yl)oxy-6-morpholin-4-ylpyrimidin-4-amine;N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-2-(1-pyrimidin-2-ylpropoxy)pyrimidin-4-amine.
What is the SMILES notation for 2-(3-chloroquinolin-6-yl)oxy-N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-ylpyrimidin-4-amine;2-(3-fluoroquinolin-6-yl)oxy-N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-ylpyrimidin-4-amine;N-[(E)-(3-methylphenyl)methylideneamino]-2-(4-methylquinolin-6-yl)oxy-6-morpholin-4-ylpyrimidin-4-amine;N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-2-(1-pyrimidin-2-ylpropoxy)pyrimidin-4-amine?
The canonical SMILES for 2-(3-chloroquinolin-6-yl)oxy-N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-ylpyrimidin-4-amine;2-(3-fluoroquinolin-6-yl)oxy-N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-ylpyrimidin-4-amine;N-[(E)-(3-methylphenyl)methylideneamino]-2-(4-methylquinolin-6-yl)oxy-6-morpholin-4-ylpyrimidin-4-amine;N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-2-(1-pyrimidin-2-ylpropoxy)pyrimidin-4-amine is CCC(Oc1nc(N/N=C/c2cccc(C)c2)cc(N2CCOCC2)n1)c1ncccn1.Cc1cccc(/C=N/Nc2cc(N3CCOCC3)nc(Oc3ccc4ncc(Cl)cc4c3)n2)c1.Cc1cccc(/C=N/Nc2cc(N3CCOCC3)nc(Oc3ccc4ncc(F)cc4c3)n2)c1.Cc1cccc(/C=N/Nc2cc(N3CCOCC3)nc(Oc3ccc4nccc(C)c4c3)n2)c1.
What is the InChIKey of 2-(3-chloroquinolin-6-yl)oxy-N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-ylpyrimidin-4-amine;2-(3-fluoroquinolin-6-yl)oxy-N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-ylpyrimidin-4-amine;N-[(E)-(3-methylphenyl)methylideneamino]-2-(4-methylquinolin-6-yl)oxy-6-morpholin-4-ylpyrimidin-4-amine;N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-2-(1-pyrimidin-2-ylpropoxy)pyrimidin-4-amine?
The InChIKey is IVMKMNROWBVHAN-WFLBLDAXSA-N. The full InChI is InChI=1S/C26H26N6O2.C25H23ClN6O2.C25H23FN6O2.C23H27N7O2/c1-18-4-3-5-20(14-18)17-28-31-24-16-25(32-10-12-33-13-11-32)30-26(29-24)34-21-6-7-23-22(15-21)19(2)8-9-27-23;2*1-17-3-2-4-18(11-17)15-28-31-23-14-24(32-7-9-33-10-8-32)30-25(29-23)34-21-5-6-22-19(13-21)12-20(26)16-27-22;1-3-19(22-24-8-5-9-25-22)32-23-27-20(15-21(28-23)30-10-12-31-13-11-30)29-26-16-18-7-4-6-17(2)14-18/h3-9,14-17H,10-13H2,1-2H3,(H,29,30,31);2*2-6,11-16H,7-10H2,1H3,(H,29,30,31);4-9,14-16,19H,3,10-13H2,1-2H3,(H,27,28,29)/b28-17+;2*28-15+;26-16+.
What are the key properties of 2-(3-chloroquinolin-6-yl)oxy-N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-ylpyrimidin-4-amine;2-(3-fluoroquinolin-6-yl)oxy-N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-ylpyrimidin-4-amine;N-[(E)-(3-methylphenyl)methylideneamino]-2-(4-methylquinolin-6-yl)oxy-6-morpholin-4-ylpyrimidin-4-amine;N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-2-(1-pyrimidin-2-ylpropoxy)pyrimidin-4-amine?
2-(3-chloroquinolin-6-yl)oxy-N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-ylpyrimidin-4-amine;2-(3-fluoroquinolin-6-yl)oxy-N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-ylpyrimidin-4-amine;N-[(E)-(3-methylphenyl)methylideneamino]-2-(4-methylquinolin-6-yl)oxy-6-morpholin-4-ylpyrimidin-4-amine;N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-2-(1-pyrimidin-2-ylpropoxy)pyrimidin-4-amine has a molecular weight of 1821.50 g/mol, XLogP of 17.71, 26 rotatable bonds, 4 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloroquinolin-6-yl)oxy-N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-ylpyrimidin-4-amine;2-(3-fluoroquinolin-6-yl)oxy-N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-ylpyrimidin-4-amine;N-[(E)-(3-methylphenyl)methylideneamino]-2-(4-methylquinolin-6-yl)oxy-6-morpholin-4-ylpyrimidin-4-amine;N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-2-(1-pyrimidin-2-ylpropoxy)pyrimidin-4-amine is sourced from PubChem (CID 172956795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).