4-(8-nitroquinolin-5-yl)morpholine

C13H13N3O3 — CID 3135677

IUPAC4-(8-nitroquinolin-5-yl)morpholine
SMILESO=[N+]([O-])c1ccc(N2CCOCC2)c2cccnc12
InChIInChI=1S/C13H13N3O3/c17-16(18)12-4-3-11(15-6-8-19-9-7-15)10-2-1-5-14-13(10)12/h1-5H,6-9H2
InChIKeyXUTGXDZAOLBEAE-UHFFFAOYSA-N
MW259.26 g/mol
LogP1.98
Rot. Bonds2

About 4-(8-nitroquinolin-5-yl)morpholine

4-(8-nitroquinolin-5-yl)morpholine (PubChem CID 3135677) has the molecular formula C13H13N3O3 and a molecular weight of 259.26 g/mol. Its IUPAC name is 4-(8-nitroquinolin-5-yl)morpholine.

Molecular Properties

Compound Name4-(8-nitroquinolin-5-yl)morpholine
PubChem CID3135677
Molecular FormulaC13H13N3O3
Molecular Weight259.26 g/mol
Exact Mass259.10
IUPAC Name4-(8-nitroquinolin-5-yl)morpholine
SMILESO=[N+]([O-])c1ccc(N2CCOCC2)c2cccnc12
InChIInChI=1S/C13H13N3O3/c17-16(18)12-4-3-11(15-6-8-19-9-7-15)10-2-1-5-14-13(10)12/h1-5H,6-9H2
InChIKeyXUTGXDZAOLBEAE-UHFFFAOYSA-N
XLogP1.98
TPSA68.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 51.98
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of 4-(8-nitroquinolin-5-yl)morpholine?
The IUPAC name of 4-(8-nitroquinolin-5-yl)morpholine (CID 3135677) is 4-(8-nitroquinolin-5-yl)morpholine.
What is the SMILES notation for 4-(8-nitroquinolin-5-yl)morpholine?
The canonical SMILES for 4-(8-nitroquinolin-5-yl)morpholine is O=[N+]([O-])c1ccc(N2CCOCC2)c2cccnc12.
What is the InChIKey of 4-(8-nitroquinolin-5-yl)morpholine?
The InChIKey is XUTGXDZAOLBEAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3/c17-16(18)12-4-3-11(15-6-8-19-9-7-15)10-2-1-5-14-13(10)12/h1-5H,6-9H2.
What are the key properties of 4-(8-nitroquinolin-5-yl)morpholine?
4-(8-nitroquinolin-5-yl)morpholine has a molecular weight of 259.26 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8-nitroquinolin-5-yl)morpholine is sourced from PubChem (CID 3135677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).