4-[2-[4-[2-(1H-indazol-3-yl)ethenyl]-2-methoxy-5-nitrophenoxy]ethyl]morpholine

C22H24N4O5 — CID 68999984

IUPAC4-[2-[4-[2-(1H-indazol-3-yl)ethenyl]-2-methoxy-5-nitrophenoxy]ethyl]morpholine
SMILESCOc1cc(C=Cc2n[nH]c3ccccc23)c([N+](=O)[O-])cc1OCCN1CCOCC1
InChIInChI=1S/C22H24N4O5/c1-29-21-14-16(6-7-19-17-4-2-3-5-18(17)23-24-19)20(26(27)28)15-22(21)31-13-10-25-8-11-30-12-9-25/h2-7,14-15H,8-13H2,1H3,(H,23,24)
InChIKeyXGHOYKIODKJHDA-UHFFFAOYSA-N
MW424.46 g/mol
LogP3.36
Rot. Bonds8

About 4-[2-[4-[2-(1H-indazol-3-yl)ethenyl]-2-methoxy-5-nitrophenoxy]ethyl]morpholine

4-[2-[4-[2-(1H-indazol-3-yl)ethenyl]-2-methoxy-5-nitrophenoxy]ethyl]morpholine (PubChem CID 68999984) has the molecular formula C22H24N4O5 and a molecular weight of 424.46 g/mol. Its IUPAC name is 4-[2-[4-[2-(1H-indazol-3-yl)ethenyl]-2-methoxy-5-nitrophenoxy]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[4-[2-(1H-indazol-3-yl)ethenyl]-2-methoxy-5-nitrophenoxy]ethyl]morpholine
PubChem CID68999984
Molecular FormulaC22H24N4O5
Molecular Weight424.46 g/mol
Exact Mass424.17
IUPAC Name4-[2-[4-[2-(1H-indazol-3-yl)ethenyl]-2-methoxy-5-nitrophenoxy]ethyl]morpholine
SMILESCOc1cc(C=Cc2n[nH]c3ccccc23)c([N+](=O)[O-])cc1OCCN1CCOCC1
InChIInChI=1S/C22H24N4O5/c1-29-21-14-16(6-7-19-17-4-2-3-5-18(17)23-24-19)20(26(27)28)15-22(21)31-13-10-25-8-11-30-12-9-25/h2-7,14-15H,8-13H2,1H3,(H,23,24)
InChIKeyXGHOYKIODKJHDA-UHFFFAOYSA-N
XLogP3.36
TPSA102.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.46
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(1H-indazol-3-yl)-N-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]prop-2-enamide
CID 11304749
4-[3-[2-(1H-indazol-3-yl)ethenyl]-4-nitrophenyl]morpholine
CID 69002915
2-[(E)-2-(1H-indazol-3-yl)ethenyl]-4-(2-morpholin-4-ylethoxy)aniline
CID 68998374
4-[2-(4-nitronaphthalen-1-yl)oxyethyl]morpholine
CID 11991204
N-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]-4-(2-morpholin-4-ylethoxy)phenyl]-1-methylpyrrole-2-carboxamide
CID 68997604
N-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]-4-(2-morpholin-4-ylethoxy)phenyl]-3-methylthiophene-2-carboxamide
CID 69001751
6-methoxy-N-(3-methylphenyl)-7-(2-morpholin-4-ylethoxy)-3-nitroquinolin-4-amine
CID 175295319
4-(2-morpholin-4-ylethoxy)-3-nitrobenzaldehyde
CID 23117913
4-acetyl-N-[4-[(E)-2-(1H-indazol-3-yl)ethenyl]-3-nitrophenyl]piperazine-1-carboxamide
CID 68999516
2-[(E)-2-(5-ethoxy-4-methoxy-2-nitrophenyl)ethenyl]-1H-indole
CID 91989033
4-[3-(2-nitrophenoxy)propyl]morpholine
CID 2232477
1,2-dimethoxy-4-nitro-5-[(E)-2-phenylethenyl]benzene
CID 101203170

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[2-(1H-indazol-3-yl)ethenyl]-2-methoxy-5-nitrophenoxy]ethyl]morpholine?
The IUPAC name of 4-[2-[4-[2-(1H-indazol-3-yl)ethenyl]-2-methoxy-5-nitrophenoxy]ethyl]morpholine (CID 68999984) is 4-[2-[4-[2-(1H-indazol-3-yl)ethenyl]-2-methoxy-5-nitrophenoxy]ethyl]morpholine.
What is the SMILES notation for 4-[2-[4-[2-(1H-indazol-3-yl)ethenyl]-2-methoxy-5-nitrophenoxy]ethyl]morpholine?
The canonical SMILES for 4-[2-[4-[2-(1H-indazol-3-yl)ethenyl]-2-methoxy-5-nitrophenoxy]ethyl]morpholine is COc1cc(C=Cc2n[nH]c3ccccc23)c([N+](=O)[O-])cc1OCCN1CCOCC1.
What is the InChIKey of 4-[2-[4-[2-(1H-indazol-3-yl)ethenyl]-2-methoxy-5-nitrophenoxy]ethyl]morpholine?
The InChIKey is XGHOYKIODKJHDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O5/c1-29-21-14-16(6-7-19-17-4-2-3-5-18(17)23-24-19)20(26(27)28)15-22(21)31-13-10-25-8-11-30-12-9-25/h2-7,14-15H,8-13H2,1H3,(H,23,24).
What are the key properties of 4-[2-[4-[2-(1H-indazol-3-yl)ethenyl]-2-methoxy-5-nitrophenoxy]ethyl]morpholine?
4-[2-[4-[2-(1H-indazol-3-yl)ethenyl]-2-methoxy-5-nitrophenoxy]ethyl]morpholine has a molecular weight of 424.46 g/mol, XLogP of 3.36, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[2-(1H-indazol-3-yl)ethenyl]-2-methoxy-5-nitrophenoxy]ethyl]morpholine is sourced from PubChem (CID 68999984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).