4-[3-[2-(1H-indazol-3-yl)ethenyl]-4-nitrophenyl]morpholine

C19H18N4O3 — CID 69002915

IUPAC4-[3-[2-(1H-indazol-3-yl)ethenyl]-4-nitrophenyl]morpholine
SMILESO=[N+]([O-])c1ccc(N2CCOCC2)cc1C=Cc1n[nH]c2ccccc12
InChIInChI=1S/C19H18N4O3/c24-23(25)19-8-6-15(22-9-11-26-12-10-22)13-14(19)5-7-18-16-3-1-2-4-17(16)20-21-18/h1-8,13H,9-12H2,(H,20,21)
InChIKeyXIVAFHJVMPWLIU-UHFFFAOYSA-N
MW350.38 g/mol
LogP3.48
Rot. Bonds4

About 4-[3-[2-(1H-indazol-3-yl)ethenyl]-4-nitrophenyl]morpholine

4-[3-[2-(1H-indazol-3-yl)ethenyl]-4-nitrophenyl]morpholine (PubChem CID 69002915) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is 4-[3-[2-(1H-indazol-3-yl)ethenyl]-4-nitrophenyl]morpholine.

Molecular Properties

Compound Name4-[3-[2-(1H-indazol-3-yl)ethenyl]-4-nitrophenyl]morpholine
PubChem CID69002915
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC Name4-[3-[2-(1H-indazol-3-yl)ethenyl]-4-nitrophenyl]morpholine
SMILESO=[N+]([O-])c1ccc(N2CCOCC2)cc1C=Cc1n[nH]c2ccccc12
InChIInChI=1S/C19H18N4O3/c24-23(25)19-8-6-15(22-9-11-26-12-10-22)13-14(19)5-7-18-16-3-1-2-4-17(16)20-21-18/h1-8,13H,9-12H2,(H,20,21)
InChIKeyXIVAFHJVMPWLIU-UHFFFAOYSA-N
XLogP3.48
TPSA84.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

4-[2-[4-[2-(1H-indazol-3-yl)ethenyl]-2-methoxy-5-nitrophenoxy]ethyl]morpholine
CID 68999984
(E)-3-(5-morpholin-4-yl-2-nitrophenyl)prop-2-enoic acid
CID 71628737
4-acetyl-N-[4-[(E)-2-(1H-indazol-3-yl)ethenyl]-3-nitrophenyl]piperazine-1-carboxamide
CID 68999516
4-(3-morpholin-4-yl-4-nitrophenyl)morpholine
CID 2829644
4-(4-ethenyl-3-nitrophenyl)morpholine
CID 141147402
4-(3-benzyl-4-nitrophenyl)morpholine
CID 58425611
4-(4-iodo-3-nitrophenyl)morpholine
CID 121330336
4-(2-nitro-5-piperazin-1-ylphenyl)morpholine;hydrochloride
CID 17354179
2-(5-morpholin-4-yl-2-nitrophenyl)-4-phenylphthalazin-1-one
CID 2901797
N-[2-[(E)-2-(1H-indazol-3-yl)ethenyl]-4-(4-methylpiperazin-1-yl)phenyl]-3-methylthiophene-2-carboxamide
CID 69002452
4-[3-(chloromethyl)-4-nitrophenyl]-1,4-oxazepane
CID 114057867
2-N-[(5-morpholin-4-yl-2-nitrophenyl)methylideneamino]-1,3-thiazole-2,4-diamine
CID 168627064

Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-(1H-indazol-3-yl)ethenyl]-4-nitrophenyl]morpholine?
The IUPAC name of 4-[3-[2-(1H-indazol-3-yl)ethenyl]-4-nitrophenyl]morpholine (CID 69002915) is 4-[3-[2-(1H-indazol-3-yl)ethenyl]-4-nitrophenyl]morpholine.
What is the SMILES notation for 4-[3-[2-(1H-indazol-3-yl)ethenyl]-4-nitrophenyl]morpholine?
The canonical SMILES for 4-[3-[2-(1H-indazol-3-yl)ethenyl]-4-nitrophenyl]morpholine is O=[N+]([O-])c1ccc(N2CCOCC2)cc1C=Cc1n[nH]c2ccccc12.
What is the InChIKey of 4-[3-[2-(1H-indazol-3-yl)ethenyl]-4-nitrophenyl]morpholine?
The InChIKey is XIVAFHJVMPWLIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3/c24-23(25)19-8-6-15(22-9-11-26-12-10-22)13-14(19)5-7-18-16-3-1-2-4-17(16)20-21-18/h1-8,13H,9-12H2,(H,20,21).
What are the key properties of 4-[3-[2-(1H-indazol-3-yl)ethenyl]-4-nitrophenyl]morpholine?
4-[3-[2-(1H-indazol-3-yl)ethenyl]-4-nitrophenyl]morpholine has a molecular weight of 350.38 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-(1H-indazol-3-yl)ethenyl]-4-nitrophenyl]morpholine is sourced from PubChem (CID 69002915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).