5-nitro-6-[(3S)-piperidin-3-yl]oxyquinoline

C14H15N3O3 — CID 66247196

IUPAC5-nitro-6-[(3S)-piperidin-3-yl]oxyquinoline
SMILESO=[N+]([O-])c1c(O[C@H]2CCCNC2)ccc2ncccc12
InChIInChI=1S/C14H15N3O3/c18-17(19)14-11-4-2-8-16-12(11)5-6-13(14)20-10-3-1-7-15-9-10/h2,4-6,8,10,15H,1,3,7,9H2/t10-/m0/s1
InChIKeyHXXCYWVPHQJYGI-JTQLQIEISA-N
MW273.29 g/mol
LogP2.27
Rot. Bonds3

About 5-nitro-6-[(3S)-piperidin-3-yl]oxyquinoline

5-nitro-6-[(3S)-piperidin-3-yl]oxyquinoline (PubChem CID 66247196) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 5-nitro-6-[(3S)-piperidin-3-yl]oxyquinoline.

Molecular Properties

Compound Name5-nitro-6-[(3S)-piperidin-3-yl]oxyquinoline
PubChem CID66247196
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name5-nitro-6-[(3S)-piperidin-3-yl]oxyquinoline
SMILESO=[N+]([O-])c1c(O[C@H]2CCCNC2)ccc2ncccc12
InChIInChI=1S/C14H15N3O3/c18-17(19)14-11-4-2-8-16-12(11)5-6-13(14)20-10-3-1-7-15-9-10/h2,4-6,8,10,15H,1,3,7,9H2/t10-/m0/s1
InChIKeyHXXCYWVPHQJYGI-JTQLQIEISA-N
XLogP2.27
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.27
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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Related Compounds

4-nitro-5-[(3S)-piperidin-3-yl]oxy-1,3-benzothiazole
CID 66245627
(3S)-3-(3-chloro-2-nitrophenoxy)piperidine
CID 104839566
2-[(3S)-piperidin-3-yl]oxypyridin-3-ol
CID 71646411
8-[(3R)-piperidin-3-yl]oxyquinoline
CID 26191562
3-(2-iodo-4-nitrophenoxy)piperidine
CID 66093717
5-nitro-N-(pyrrolidin-2-ylmethyl)quinolin-6-amine
CID 62540611
2-(5-nitroquinolin-6-yl)oxyacetic acid
CID 114335171
3-nitro-2-[(3S)-pyrrolidin-3-yl]oxypyridine;hydrochloride
CID 53255983
5-nitro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]quinolin-6-amine
CID 104972848
5,6-dinitroquinoline
CID 119087514
5-nitro-2-[(3S)-piperidin-3-yl]oxy-1,3-thiazole
CID 102771875
2-[(3S)-piperidin-3-yl]oxypyridin-3-amine
CID 125041854

Frequently Asked Questions

What is the IUPAC name of 5-nitro-6-[(3S)-piperidin-3-yl]oxyquinoline?
The IUPAC name of 5-nitro-6-[(3S)-piperidin-3-yl]oxyquinoline (CID 66247196) is 5-nitro-6-[(3S)-piperidin-3-yl]oxyquinoline.
What is the SMILES notation for 5-nitro-6-[(3S)-piperidin-3-yl]oxyquinoline?
The canonical SMILES for 5-nitro-6-[(3S)-piperidin-3-yl]oxyquinoline is O=[N+]([O-])c1c(O[C@H]2CCCNC2)ccc2ncccc12.
What is the InChIKey of 5-nitro-6-[(3S)-piperidin-3-yl]oxyquinoline?
The InChIKey is HXXCYWVPHQJYGI-JTQLQIEISA-N. The full InChI is InChI=1S/C14H15N3O3/c18-17(19)14-11-4-2-8-16-12(11)5-6-13(14)20-10-3-1-7-15-9-10/h2,4-6,8,10,15H,1,3,7,9H2/t10-/m0/s1.
What are the key properties of 5-nitro-6-[(3S)-piperidin-3-yl]oxyquinoline?
5-nitro-6-[(3S)-piperidin-3-yl]oxyquinoline has a molecular weight of 273.29 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-6-[(3S)-piperidin-3-yl]oxyquinoline is sourced from PubChem (CID 66247196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).