1-(6-nitroquinolin-2-yl)azetidin-3-ol

C12H11N3O3 — CID 63282678

IUPAC1-(6-nitroquinolin-2-yl)azetidin-3-ol
SMILESO=[N+]([O-])c1ccc2nc(N3CC(O)C3)ccc2c1
InChIInChI=1S/C12H11N3O3/c16-10-6-14(7-10)12-4-1-8-5-9(15(17)18)2-3-11(8)13-12/h1-5,10,16H,6-7H2
InChIKeyVBCBSLIDMXUNGM-UHFFFAOYSA-N
MW245.24 g/mol
LogP1.32
Rot. Bonds2

About 1-(6-nitroquinolin-2-yl)azetidin-3-ol

1-(6-nitroquinolin-2-yl)azetidin-3-ol (PubChem CID 63282678) has the molecular formula C12H11N3O3 and a molecular weight of 245.24 g/mol. Its IUPAC name is 1-(6-nitroquinolin-2-yl)azetidin-3-ol.

Molecular Properties

Compound Name1-(6-nitroquinolin-2-yl)azetidin-3-ol
PubChem CID63282678
Molecular FormulaC12H11N3O3
Molecular Weight245.24 g/mol
Exact Mass245.08
IUPAC Name1-(6-nitroquinolin-2-yl)azetidin-3-ol
SMILESO=[N+]([O-])c1ccc2nc(N3CC(O)C3)ccc2c1
InChIInChI=1S/C12H11N3O3/c16-10-6-14(7-10)12-4-1-8-5-9(15(17)18)2-3-11(8)13-12/h1-5,10,16H,6-7H2
InChIKeyVBCBSLIDMXUNGM-UHFFFAOYSA-N
XLogP1.32
TPSA79.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 51.32
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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Frequently Asked Questions

What is the IUPAC name of 1-(6-nitroquinolin-2-yl)azetidin-3-ol?
The IUPAC name of 1-(6-nitroquinolin-2-yl)azetidin-3-ol (CID 63282678) is 1-(6-nitroquinolin-2-yl)azetidin-3-ol.
What is the SMILES notation for 1-(6-nitroquinolin-2-yl)azetidin-3-ol?
The canonical SMILES for 1-(6-nitroquinolin-2-yl)azetidin-3-ol is O=[N+]([O-])c1ccc2nc(N3CC(O)C3)ccc2c1.
What is the InChIKey of 1-(6-nitroquinolin-2-yl)azetidin-3-ol?
The InChIKey is VBCBSLIDMXUNGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O3/c16-10-6-14(7-10)12-4-1-8-5-9(15(17)18)2-3-11(8)13-12/h1-5,10,16H,6-7H2.
What are the key properties of 1-(6-nitroquinolin-2-yl)azetidin-3-ol?
1-(6-nitroquinolin-2-yl)azetidin-3-ol has a molecular weight of 245.24 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-nitroquinolin-2-yl)azetidin-3-ol is sourced from PubChem (CID 63282678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).