4-methoxy-5-(3-morpholin-4-ylpropoxy)-2-nitrosobenzonitrile

C15H19N3O4 — CID 145493377

IUPAC4-methoxy-5-(3-morpholin-4-ylpropoxy)-2-nitrosobenzonitrile
SMILESCOc1cc(N=O)c(C#N)cc1OCCCN1CCOCC1
InChIInChI=1S/C15H19N3O4/c1-20-14-10-13(17-19)12(11-16)9-15(14)22-6-2-3-18-4-7-21-8-5-18/h9-10H,2-8H2,1H3
InChIKeyYLKBOUCFYSKIDL-UHFFFAOYSA-N
MW305.33 g/mol
LogP2.07
Rot. Bonds7

About 4-methoxy-5-(3-morpholin-4-ylpropoxy)-2-nitrosobenzonitrile

4-methoxy-5-(3-morpholin-4-ylpropoxy)-2-nitrosobenzonitrile (PubChem CID 145493377) has the molecular formula C15H19N3O4 and a molecular weight of 305.33 g/mol. Its IUPAC name is 4-methoxy-5-(3-morpholin-4-ylpropoxy)-2-nitrosobenzonitrile.

Molecular Properties

Compound Name4-methoxy-5-(3-morpholin-4-ylpropoxy)-2-nitrosobenzonitrile
PubChem CID145493377
Molecular FormulaC15H19N3O4
Molecular Weight305.33 g/mol
Exact Mass305.14
IUPAC Name4-methoxy-5-(3-morpholin-4-ylpropoxy)-2-nitrosobenzonitrile
SMILESCOc1cc(N=O)c(C#N)cc1OCCCN1CCOCC1
InChIInChI=1S/C15H19N3O4/c1-20-14-10-13(17-19)12(11-16)9-15(14)22-6-2-3-18-4-7-21-8-5-18/h9-10H,2-8H2,1H3
InChIKeyYLKBOUCFYSKIDL-UHFFFAOYSA-N
XLogP2.07
TPSA84.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-2-(methylideneamino)-5-(3-morpholin-4-ylpropoxy)benzonitrile
CID 143013804
4-methoxy-3-(3-morpholin-4-ylpropoxy)benzonitrile
CID 10356088
6-methoxy-4-methyl-7-(3-morpholin-4-ylpropoxy)quinoline-3-carbonitrile
CID 149186313
methyl 4-methoxy-3-(3-morpholin-4-ylpropoxy)benzoate
CID 22466648
4-[3-(2-methoxy-5-methylphenoxy)propyl]morpholine
CID 58597190
2-amino-3-(3-morpholin-4-ylpropoxy)benzonitrile
CID 174668290
4-methoxy-2-(morpholin-4-ylmethylideneamino)-5-[5-(oxan-4-yl)pentoxy]benzonitrile
CID 163943927
3-methoxy-2-(2-morpholin-4-ylethoxy)benzonitrile
CID 22685973
5-methoxy-6-(3-morpholin-4-ylpropoxy)-3H-2-benzofuran-1-one
CID 144805379
methyl 2-(dimethylaminomethylideneamino)-4-methoxy-5-(3-morpholin-4-ylpropoxy)benzoate
CID 101199441
2-[3-(1,4-oxazepan-4-yl)propoxy]benzonitrile
CID 62989022
4-(4-chloro-2-fluoroanilino)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinoline-3-carbonitrile
CID 10140112

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-5-(3-morpholin-4-ylpropoxy)-2-nitrosobenzonitrile?
The IUPAC name of 4-methoxy-5-(3-morpholin-4-ylpropoxy)-2-nitrosobenzonitrile (CID 145493377) is 4-methoxy-5-(3-morpholin-4-ylpropoxy)-2-nitrosobenzonitrile.
What is the SMILES notation for 4-methoxy-5-(3-morpholin-4-ylpropoxy)-2-nitrosobenzonitrile?
The canonical SMILES for 4-methoxy-5-(3-morpholin-4-ylpropoxy)-2-nitrosobenzonitrile is COc1cc(N=O)c(C#N)cc1OCCCN1CCOCC1.
What is the InChIKey of 4-methoxy-5-(3-morpholin-4-ylpropoxy)-2-nitrosobenzonitrile?
The InChIKey is YLKBOUCFYSKIDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4/c1-20-14-10-13(17-19)12(11-16)9-15(14)22-6-2-3-18-4-7-21-8-5-18/h9-10H,2-8H2,1H3.
What are the key properties of 4-methoxy-5-(3-morpholin-4-ylpropoxy)-2-nitrosobenzonitrile?
4-methoxy-5-(3-morpholin-4-ylpropoxy)-2-nitrosobenzonitrile has a molecular weight of 305.33 g/mol, XLogP of 2.07, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-5-(3-morpholin-4-ylpropoxy)-2-nitrosobenzonitrile is sourced from PubChem (CID 145493377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).