4-[2-nitro-5-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]phenyl]morpholine

C23H24N6O5 — CID 2868466

IUPAC4-[2-nitro-5-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]phenyl]morpholine
SMILESO=[N+]([O-])c1ccc(N2CCN(c3ccc([N+](=O)[O-])c4cccnc34)CC2)cc1N1CCOCC1
InChIInChI=1S/C23H24N6O5/c30-28(31)19-5-6-21(23-18(19)2-1-7-24-23)26-10-8-25(9-11-26)17-3-4-20(29(32)33)22(16-17)27-12-14-34-15-13-27/h1-7,16H,8-15H2
InChIKeyOXJAGWYQJBAREP-UHFFFAOYSA-N
MW464.48 g/mol
LogP3.21
Rot. Bonds5

About 4-[2-nitro-5-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]phenyl]morpholine

4-[2-nitro-5-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]phenyl]morpholine (PubChem CID 2868466) has the molecular formula C23H24N6O5 and a molecular weight of 464.48 g/mol. Its IUPAC name is 4-[2-nitro-5-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]phenyl]morpholine.

Molecular Properties

Compound Name4-[2-nitro-5-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]phenyl]morpholine
PubChem CID2868466
Molecular FormulaC23H24N6O5
Molecular Weight464.48 g/mol
Exact Mass464.18
IUPAC Name4-[2-nitro-5-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]phenyl]morpholine
SMILESO=[N+]([O-])c1ccc(N2CCN(c3ccc([N+](=O)[O-])c4cccnc34)CC2)cc1N1CCOCC1
InChIInChI=1S/C23H24N6O5/c30-28(31)19-5-6-21(23-18(19)2-1-7-24-23)26-10-8-25(9-11-26)17-3-4-20(29(32)33)22(16-17)27-12-14-34-15-13-27/h1-7,16H,8-15H2
InChIKeyOXJAGWYQJBAREP-UHFFFAOYSA-N
XLogP3.21
TPSA118.12 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.48
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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-nitro-5-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]phenyl]morpholine?
The IUPAC name of 4-[2-nitro-5-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]phenyl]morpholine (CID 2868466) is 4-[2-nitro-5-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]phenyl]morpholine.
What is the SMILES notation for 4-[2-nitro-5-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]phenyl]morpholine?
The canonical SMILES for 4-[2-nitro-5-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]phenyl]morpholine is O=[N+]([O-])c1ccc(N2CCN(c3ccc([N+](=O)[O-])c4cccnc34)CC2)cc1N1CCOCC1.
What is the InChIKey of 4-[2-nitro-5-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]phenyl]morpholine?
The InChIKey is OXJAGWYQJBAREP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O5/c30-28(31)19-5-6-21(23-18(19)2-1-7-24-23)26-10-8-25(9-11-26)17-3-4-20(29(32)33)22(16-17)27-12-14-34-15-13-27/h1-7,16H,8-15H2.
What are the key properties of 4-[2-nitro-5-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]phenyl]morpholine?
4-[2-nitro-5-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]phenyl]morpholine has a molecular weight of 464.48 g/mol, XLogP of 3.21, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-nitro-5-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]phenyl]morpholine is sourced from PubChem (CID 2868466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).