2-[1-(6-nitroquinolin-2-yl)piperidin-3-yl]oxyethanol

C16H19N3O4 — CID 133315162

IUPAC2-[1-(6-nitroquinolin-2-yl)piperidin-3-yl]oxyethanol
SMILESO=[N+]([O-])c1ccc2nc(N3CCCC(OCCO)C3)ccc2c1
InChIInChI=1S/C16H19N3O4/c20-8-9-23-14-2-1-7-18(11-14)16-6-3-12-10-13(19(21)22)4-5-15(12)17-16/h3-6,10,14,20H,1-2,7-9,11H2
InChIKeyVSCNMMVCKUFFQK-UHFFFAOYSA-N
MW317.35 g/mol
LogP2.12
Rot. Bonds5

About 2-[1-(6-nitroquinolin-2-yl)piperidin-3-yl]oxyethanol

2-[1-(6-nitroquinolin-2-yl)piperidin-3-yl]oxyethanol (PubChem CID 133315162) has the molecular formula C16H19N3O4 and a molecular weight of 317.35 g/mol. Its IUPAC name is 2-[1-(6-nitroquinolin-2-yl)piperidin-3-yl]oxyethanol.

Molecular Properties

Compound Name2-[1-(6-nitroquinolin-2-yl)piperidin-3-yl]oxyethanol
PubChem CID133315162
Molecular FormulaC16H19N3O4
Molecular Weight317.35 g/mol
Exact Mass317.14
IUPAC Name2-[1-(6-nitroquinolin-2-yl)piperidin-3-yl]oxyethanol
SMILESO=[N+]([O-])c1ccc2nc(N3CCCC(OCCO)C3)ccc2c1
InChIInChI=1S/C16H19N3O4/c20-8-9-23-14-2-1-7-18(11-14)16-6-3-12-10-13(19(21)22)4-5-15(12)17-16/h3-6,10,14,20H,1-2,7-9,11H2
InChIKeyVSCNMMVCKUFFQK-UHFFFAOYSA-N
XLogP2.12
TPSA88.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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
2-[1-(6-methoxyquinolin-2-yl)piperidin-3-yl]oxyethanol
CID 133315183
1-(6-nitroquinolin-2-yl)piperidine-3-carboxylic acid
CID 120964801
N-methyl-1-(6-nitroquinolin-2-yl)piperidin-3-amine
CID 62545842
2-(azetidin-1-yl)-6-nitroquinoline
CID 121008923
6-nitro-2-(3-pyridin-4-yloxypyrrolidin-1-yl)quinoline
CID 71919769
1-(6-nitroquinolin-2-yl)azetidin-3-ol
CID 63282678
N-[(3S)-1-(6-nitroquinolin-2-yl)piperidin-3-yl]butanamide
CID 96567403
1-(6-nitroquinolin-2-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 133331698
methyl-[(3R)-1-(6-nitroquinolin-2-yl)pyrrolidin-3-yl]carbamic acid
CID 69058174
N-methyl-1-(6-nitroquinolin-2-yl)pyrrolidin-3-amine
CID 115300813
6-nitro-2-[(3S)-3-phenylpyrrolidin-1-yl]quinoline
CID 129320590

Frequently Asked Questions

What is the IUPAC name of 2-[1-(6-nitroquinolin-2-yl)piperidin-3-yl]oxyethanol?
The IUPAC name of 2-[1-(6-nitroquinolin-2-yl)piperidin-3-yl]oxyethanol (CID 133315162) is 2-[1-(6-nitroquinolin-2-yl)piperidin-3-yl]oxyethanol.
What is the SMILES notation for 2-[1-(6-nitroquinolin-2-yl)piperidin-3-yl]oxyethanol?
The canonical SMILES for 2-[1-(6-nitroquinolin-2-yl)piperidin-3-yl]oxyethanol is O=[N+]([O-])c1ccc2nc(N3CCCC(OCCO)C3)ccc2c1.
What is the InChIKey of 2-[1-(6-nitroquinolin-2-yl)piperidin-3-yl]oxyethanol?
The InChIKey is VSCNMMVCKUFFQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4/c20-8-9-23-14-2-1-7-18(11-14)16-6-3-12-10-13(19(21)22)4-5-15(12)17-16/h3-6,10,14,20H,1-2,7-9,11H2.
What are the key properties of 2-[1-(6-nitroquinolin-2-yl)piperidin-3-yl]oxyethanol?
2-[1-(6-nitroquinolin-2-yl)piperidin-3-yl]oxyethanol has a molecular weight of 317.35 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(6-nitroquinolin-2-yl)piperidin-3-yl]oxyethanol is sourced from PubChem (CID 133315162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).