2-(azetidin-1-yl)-6-nitroquinoline

C12H11N3O2 — CID 121008923

IUPAC2-(azetidin-1-yl)-6-nitroquinoline
SMILESO=[N+]([O-])c1ccc2nc(N3CCC3)ccc2c1
InChIInChI=1S/C12H11N3O2/c16-15(17)10-3-4-11-9(8-10)2-5-12(13-11)14-6-1-7-14/h2-5,8H,1,6-7H2
InChIKeyFMXKWDHDVFRMKG-UHFFFAOYSA-N
MW229.24 g/mol
LogP2.35
Rot. Bonds2

About 2-(azetidin-1-yl)-6-nitroquinoline

2-(azetidin-1-yl)-6-nitroquinoline (PubChem CID 121008923) has the molecular formula C12H11N3O2 and a molecular weight of 229.24 g/mol. Its IUPAC name is 2-(azetidin-1-yl)-6-nitroquinoline.

Molecular Properties

Compound Name2-(azetidin-1-yl)-6-nitroquinoline
PubChem CID121008923
Molecular FormulaC12H11N3O2
Molecular Weight229.24 g/mol
Exact Mass229.09
IUPAC Name2-(azetidin-1-yl)-6-nitroquinoline
SMILESO=[N+]([O-])c1ccc2nc(N3CCC3)ccc2c1
InChIInChI=1S/C12H11N3O2/c16-15(17)10-3-4-11-9(8-10)2-5-12(13-11)14-6-1-7-14/h2-5,8H,1,6-7H2
InChIKeyFMXKWDHDVFRMKG-UHFFFAOYSA-N
XLogP2.35
TPSA59.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

(3S)-1-(6-nitroquinolin-2-yl)piperidin-3-ol
CID 107225336
1-(6-nitroquinolin-2-yl)piperidine-3-carboxylic acid
CID 120964801
N-methyl-1-(6-nitroquinolin-2-yl)piperidin-3-amine
CID 62545842
1-(6-nitroquinolin-2-yl)azetidin-3-ol
CID 63282678
2-(4-butylpiperazin-1-yl)-6-nitroquinoline
CID 73265420
N-methyl-1-(6-nitroquinolin-2-yl)pyrrolidin-3-amine
CID 115300813
2-[1-(6-nitroquinolin-2-yl)piperidin-3-yl]oxyethanol
CID 133315162
6-nitro-2-[(3S)-3-phenylpyrrolidin-1-yl]quinoline
CID 129320590
N-cyclopentyl-2-[4-(6-nitroquinolin-2-yl)piperazin-1-yl]propanamide
CID 133287688
2-(2,3-dimethylpyrrolidin-1-yl)-6-nitroquinoline
CID 133357796
3,5-dimethyl-4-[[4-(6-nitroquinolin-2-yl)piperazin-1-yl]methyl]-1,2-oxazole
CID 133277799
methyl-[(3R)-1-(6-nitroquinolin-2-yl)pyrrolidin-3-yl]carbamic acid
CID 69058174

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-1-yl)-6-nitroquinoline?
The IUPAC name of 2-(azetidin-1-yl)-6-nitroquinoline (CID 121008923) is 2-(azetidin-1-yl)-6-nitroquinoline.
What is the SMILES notation for 2-(azetidin-1-yl)-6-nitroquinoline?
The canonical SMILES for 2-(azetidin-1-yl)-6-nitroquinoline is O=[N+]([O-])c1ccc2nc(N3CCC3)ccc2c1.
What is the InChIKey of 2-(azetidin-1-yl)-6-nitroquinoline?
The InChIKey is FMXKWDHDVFRMKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2/c16-15(17)10-3-4-11-9(8-10)2-5-12(13-11)14-6-1-7-14/h2-5,8H,1,6-7H2.
What are the key properties of 2-(azetidin-1-yl)-6-nitroquinoline?
2-(azetidin-1-yl)-6-nitroquinoline has a molecular weight of 229.24 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-1-yl)-6-nitroquinoline is sourced from PubChem (CID 121008923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).