4-[2-[3-(naphthalen-2-ylmethoxy)-5-nitroindazol-1-yl]ethyl]morpholine

C24H24N4O4 — CID 51357319

IUPAC4-[2-[3-(naphthalen-2-ylmethoxy)-5-nitroindazol-1-yl]ethyl]morpholine
SMILESO=[N+]([O-])c1ccc2c(c1)c(OCc1ccc3ccccc3c1)nn2CCN1CCOCC1
InChIInChI=1S/C24H24N4O4/c29-28(30)21-7-8-23-22(16-21)24(25-27(23)10-9-26-11-13-31-14-12-26)32-17-18-5-6-19-3-1-2-4-20(19)15-18/h1-8,15-16H,9-14,17H2
InChIKeyUPOOBDMZXYSRQK-UHFFFAOYSA-N
MW432.48 g/mol
LogP4.01
Rot. Bonds7

About 4-[2-[3-(naphthalen-2-ylmethoxy)-5-nitroindazol-1-yl]ethyl]morpholine

4-[2-[3-(naphthalen-2-ylmethoxy)-5-nitroindazol-1-yl]ethyl]morpholine (PubChem CID 51357319) has the molecular formula C24H24N4O4 and a molecular weight of 432.48 g/mol. Its IUPAC name is 4-[2-[3-(naphthalen-2-ylmethoxy)-5-nitroindazol-1-yl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[3-(naphthalen-2-ylmethoxy)-5-nitroindazol-1-yl]ethyl]morpholine
PubChem CID51357319
Molecular FormulaC24H24N4O4
Molecular Weight432.48 g/mol
Exact Mass432.18
IUPAC Name4-[2-[3-(naphthalen-2-ylmethoxy)-5-nitroindazol-1-yl]ethyl]morpholine
SMILESO=[N+]([O-])c1ccc2c(c1)c(OCc1ccc3ccccc3c1)nn2CCN1CCOCC1
InChIInChI=1S/C24H24N4O4/c29-28(30)21-7-8-23-22(16-21)24(25-27(23)10-9-26-11-13-31-14-12-26)32-17-18-5-6-19-3-1-2-4-20(19)15-18/h1-8,15-16H,9-14,17H2
InChIKeyUPOOBDMZXYSRQK-UHFFFAOYSA-N
XLogP4.01
TPSA82.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 54.01
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-(naphthalen-2-ylmethoxy)-5-nitroindazol-1-yl]ethyl]morpholine?
The IUPAC name of 4-[2-[3-(naphthalen-2-ylmethoxy)-5-nitroindazol-1-yl]ethyl]morpholine (CID 51357319) is 4-[2-[3-(naphthalen-2-ylmethoxy)-5-nitroindazol-1-yl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[3-(naphthalen-2-ylmethoxy)-5-nitroindazol-1-yl]ethyl]morpholine?
The canonical SMILES for 4-[2-[3-(naphthalen-2-ylmethoxy)-5-nitroindazol-1-yl]ethyl]morpholine is O=[N+]([O-])c1ccc2c(c1)c(OCc1ccc3ccccc3c1)nn2CCN1CCOCC1.
What is the InChIKey of 4-[2-[3-(naphthalen-2-ylmethoxy)-5-nitroindazol-1-yl]ethyl]morpholine?
The InChIKey is UPOOBDMZXYSRQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O4/c29-28(30)21-7-8-23-22(16-21)24(25-27(23)10-9-26-11-13-31-14-12-26)32-17-18-5-6-19-3-1-2-4-20(19)15-18/h1-8,15-16H,9-14,17H2.
What are the key properties of 4-[2-[3-(naphthalen-2-ylmethoxy)-5-nitroindazol-1-yl]ethyl]morpholine?
4-[2-[3-(naphthalen-2-ylmethoxy)-5-nitroindazol-1-yl]ethyl]morpholine has a molecular weight of 432.48 g/mol, XLogP of 4.01, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-(naphthalen-2-ylmethoxy)-5-nitroindazol-1-yl]ethyl]morpholine is sourced from PubChem (CID 51357319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).