2-[1-(5-nitroquinolin-8-yl)piperidin-3-yl]oxyethanol

C16H19N3O4 — CID 133315227

IUPAC2-[1-(5-nitroquinolin-8-yl)piperidin-3-yl]oxyethanol
SMILESO=[N+]([O-])c1ccc(N2CCCC(OCCO)C2)c2ncccc12
InChIInChI=1S/C16H19N3O4/c20-9-10-23-12-3-2-8-18(11-12)15-6-5-14(19(21)22)13-4-1-7-17-16(13)15/h1,4-7,12,20H,2-3,8-11H2
InChIKeyZJRAZPZDRAQBCM-UHFFFAOYSA-N
MW317.35 g/mol
LogP2.12
Rot. Bonds5

About 2-[1-(5-nitroquinolin-8-yl)piperidin-3-yl]oxyethanol

2-[1-(5-nitroquinolin-8-yl)piperidin-3-yl]oxyethanol (PubChem CID 133315227) has the molecular formula C16H19N3O4 and a molecular weight of 317.35 g/mol. Its IUPAC name is 2-[1-(5-nitroquinolin-8-yl)piperidin-3-yl]oxyethanol.

Molecular Properties

Compound Name2-[1-(5-nitroquinolin-8-yl)piperidin-3-yl]oxyethanol
PubChem CID133315227
Molecular FormulaC16H19N3O4
Molecular Weight317.35 g/mol
Exact Mass317.14
IUPAC Name2-[1-(5-nitroquinolin-8-yl)piperidin-3-yl]oxyethanol
SMILESO=[N+]([O-])c1ccc(N2CCCC(OCCO)C2)c2ncccc12
InChIInChI=1S/C16H19N3O4/c20-9-10-23-12-3-2-8-18(11-12)15-6-5-14(19(21)22)13-4-1-7-17-16(13)15/h1,4-7,12,20H,2-3,8-11H2
InChIKeyZJRAZPZDRAQBCM-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

5-nitro-8-piperidin-1-ylquinoline
CID 3124100
N-butyl-1-(5-nitroquinolin-8-yl)piperidine-3-carboxamide
CID 49431600
2-(1-pyrimidin-2-ylpiperidin-3-yl)oxyethanol
CID 133315289
5-nitro-8-(4-pyrimidin-2-ylpiperazin-1-yl)quinoline
CID 46238560
2-[1-(4-chloro-8-fluoroquinolin-7-yl)piperidin-3-yl]oxyethanol
CID 133315310
5-nitro-8-[4-(2-nitrophenyl)piperazin-1-yl]quinoline
CID 2868370
8-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-5-nitroquinoline
CID 66211256
2-(3-ethoxypiperidin-1-yl)-3-nitropyridine
CID 133274264
4-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]phenol
CID 30746841
N-(3-cyclohexyloxypropyl)-5-nitroquinolin-8-amine
CID 31539522
N-cyclopentyl-2-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]propanamide
CID 133287702
1-(2-methylpiperidin-1-yl)-2-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]ethanone
CID 42949561

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-nitroquinolin-8-yl)piperidin-3-yl]oxyethanol?
The IUPAC name of 2-[1-(5-nitroquinolin-8-yl)piperidin-3-yl]oxyethanol (CID 133315227) is 2-[1-(5-nitroquinolin-8-yl)piperidin-3-yl]oxyethanol.
What is the SMILES notation for 2-[1-(5-nitroquinolin-8-yl)piperidin-3-yl]oxyethanol?
The canonical SMILES for 2-[1-(5-nitroquinolin-8-yl)piperidin-3-yl]oxyethanol is O=[N+]([O-])c1ccc(N2CCCC(OCCO)C2)c2ncccc12.
What is the InChIKey of 2-[1-(5-nitroquinolin-8-yl)piperidin-3-yl]oxyethanol?
The InChIKey is ZJRAZPZDRAQBCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4/c20-9-10-23-12-3-2-8-18(11-12)15-6-5-14(19(21)22)13-4-1-7-17-16(13)15/h1,4-7,12,20H,2-3,8-11H2.
What are the key properties of 2-[1-(5-nitroquinolin-8-yl)piperidin-3-yl]oxyethanol?
2-[1-(5-nitroquinolin-8-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-(5-nitroquinolin-8-yl)piperidin-3-yl]oxyethanol is sourced from PubChem (CID 133315227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).