1-[(4,6-dichloro-2H-chromen-3-yl)methylideneamino]oxy-3-morpholin-4-ylpropan-2-ol

C17H20Cl2N2O4 — CID 2740188

IUPAC1-[(4,6-dichloro-2H-chromen-3-yl)methylideneamino]oxy-3-morpholin-4-ylpropan-2-ol
SMILESOC(CON=CC1=C(Cl)c2cc(Cl)ccc2OC1)CN1CCOCC1
InChIInChI=1S/C17H20Cl2N2O4/c18-13-1-2-16-15(7-13)17(19)12(10-24-16)8-20-25-11-14(22)9-21-3-5-23-6-4-21/h1-2,7-8,14,22H,3-6,9-11H2
InChIKeyONBKQGRWQDGDHL-UHFFFAOYSA-N
MW387.26 g/mol
LogP2.38
Rot. Bonds6

About 1-[(4,6-dichloro-2H-chromen-3-yl)methylideneamino]oxy-3-morpholin-4-ylpropan-2-ol

1-[(4,6-dichloro-2H-chromen-3-yl)methylideneamino]oxy-3-morpholin-4-ylpropan-2-ol (PubChem CID 2740188) has the molecular formula C17H20Cl2N2O4 and a molecular weight of 387.26 g/mol. Its IUPAC name is 1-[(4,6-dichloro-2H-chromen-3-yl)methylideneamino]oxy-3-morpholin-4-ylpropan-2-ol.

Molecular Properties

Compound Name1-[(4,6-dichloro-2H-chromen-3-yl)methylideneamino]oxy-3-morpholin-4-ylpropan-2-ol
PubChem CID2740188
Molecular FormulaC17H20Cl2N2O4
Molecular Weight387.26 g/mol
Exact Mass386.08
IUPAC Name1-[(4,6-dichloro-2H-chromen-3-yl)methylideneamino]oxy-3-morpholin-4-ylpropan-2-ol
SMILESOC(CON=CC1=C(Cl)c2cc(Cl)ccc2OC1)CN1CCOCC1
InChIInChI=1S/C17H20Cl2N2O4/c18-13-1-2-16-15(7-13)17(19)12(10-24-16)8-20-25-11-14(22)9-21-3-5-23-6-4-21/h1-2,7-8,14,22H,3-6,9-11H2
InChIKeyONBKQGRWQDGDHL-UHFFFAOYSA-N
XLogP2.38
TPSA63.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.26
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-[(4,6-dichloro-2H-chromen-3-yl)methylideneamino]oxy-3-morpholin-4-ylpropan-2-ol with MolForge

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Related Compounds

(2R)-1-[(Z)-(4,6-dichloro-2H-chromen-3-yl)methylideneamino]oxy-3-piperidin-1-ylpropan-2-ol
CID 7222036
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CID 13207781
(2S)-1-(4-chloroanilino)-3-morpholin-4-ylpropan-2-ol
CID 92856830
(2S)-1-[(E)-(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]oxy-3-morpholin-4-ylpropan-2-ol
CID 44541895
(2S)-1-(2-chlorophenoxy)-3-morpholin-4-ylpropan-2-ol
CID 34207051
(2S)-1-(3,6-dichlorocarbazol-9-yl)-3-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]propan-2-ol
CID 66742472
1-morpholin-4-yl-3-(2,4,6-tribromophenoxy)propan-2-ol
CID 660609
1-morpholin-4-yl-3-(4-pyrrolidin-1-ylphenoxy)propan-2-ol
CID 109416651
[(2S)-2-hydroxy-3-morpholin-4-ylpropyl] acetate
CID 71177850
N'-(2-hydroxy-3-morpholin-4-ylpropoxy)-3,3-diphenylpropanimidamide;dihydrochloride
CID 20557062
N-[1-(4-chlorophenyl)ethyl]-2-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]oxyacetamide
CID 78836405
(2R)-1-(3-fluoro-4-methylphenoxy)-3-morpholin-4-ylpropan-2-ol
CID 99838743

Frequently Asked Questions

What is the IUPAC name of 1-[(4,6-dichloro-2H-chromen-3-yl)methylideneamino]oxy-3-morpholin-4-ylpropan-2-ol?
The IUPAC name of 1-[(4,6-dichloro-2H-chromen-3-yl)methylideneamino]oxy-3-morpholin-4-ylpropan-2-ol (CID 2740188) is 1-[(4,6-dichloro-2H-chromen-3-yl)methylideneamino]oxy-3-morpholin-4-ylpropan-2-ol.
What is the SMILES notation for 1-[(4,6-dichloro-2H-chromen-3-yl)methylideneamino]oxy-3-morpholin-4-ylpropan-2-ol?
The canonical SMILES for 1-[(4,6-dichloro-2H-chromen-3-yl)methylideneamino]oxy-3-morpholin-4-ylpropan-2-ol is OC(CON=CC1=C(Cl)c2cc(Cl)ccc2OC1)CN1CCOCC1.
What is the InChIKey of 1-[(4,6-dichloro-2H-chromen-3-yl)methylideneamino]oxy-3-morpholin-4-ylpropan-2-ol?
The InChIKey is ONBKQGRWQDGDHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20Cl2N2O4/c18-13-1-2-16-15(7-13)17(19)12(10-24-16)8-20-25-11-14(22)9-21-3-5-23-6-4-21/h1-2,7-8,14,22H,3-6,9-11H2.
What are the key properties of 1-[(4,6-dichloro-2H-chromen-3-yl)methylideneamino]oxy-3-morpholin-4-ylpropan-2-ol?
1-[(4,6-dichloro-2H-chromen-3-yl)methylideneamino]oxy-3-morpholin-4-ylpropan-2-ol has a molecular weight of 387.26 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,6-dichloro-2H-chromen-3-yl)methylideneamino]oxy-3-morpholin-4-ylpropan-2-ol is sourced from PubChem (CID 2740188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).