5-nitro-6-(4-phenylpiperidin-1-yl)quinoline

C20H19N3O2 — CID 71892028

IUPAC5-nitro-6-(4-phenylpiperidin-1-yl)quinoline
SMILESO=[N+]([O-])c1c(N2CCC(c3ccccc3)CC2)ccc2ncccc12
InChIInChI=1S/C20H19N3O2/c24-23(25)20-17-7-4-12-21-18(17)8-9-19(20)22-13-10-16(11-14-22)15-5-2-1-3-6-15/h1-9,12,16H,10-11,13-14H2
InChIKeyQELCQEPGLWUDLE-UHFFFAOYSA-N
MW333.39 g/mol
LogP4.53
Rot. Bonds3

About 5-nitro-6-(4-phenylpiperidin-1-yl)quinoline

5-nitro-6-(4-phenylpiperidin-1-yl)quinoline (PubChem CID 71892028) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 5-nitro-6-(4-phenylpiperidin-1-yl)quinoline.

Molecular Properties

Compound Name5-nitro-6-(4-phenylpiperidin-1-yl)quinoline
PubChem CID71892028
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name5-nitro-6-(4-phenylpiperidin-1-yl)quinoline
SMILESO=[N+]([O-])c1c(N2CCC(c3ccccc3)CC2)ccc2ncccc12
InChIInChI=1S/C20H19N3O2/c24-23(25)20-17-7-4-12-21-18(17)8-9-19(20)22-13-10-16(11-14-22)15-5-2-1-3-6-15/h1-9,12,16H,10-11,13-14H2
InChIKeyQELCQEPGLWUDLE-UHFFFAOYSA-N
XLogP4.53
TPSA59.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 54.53
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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Frequently Asked Questions

What is the IUPAC name of 5-nitro-6-(4-phenylpiperidin-1-yl)quinoline?
The IUPAC name of 5-nitro-6-(4-phenylpiperidin-1-yl)quinoline (CID 71892028) is 5-nitro-6-(4-phenylpiperidin-1-yl)quinoline.
What is the SMILES notation for 5-nitro-6-(4-phenylpiperidin-1-yl)quinoline?
The canonical SMILES for 5-nitro-6-(4-phenylpiperidin-1-yl)quinoline is O=[N+]([O-])c1c(N2CCC(c3ccccc3)CC2)ccc2ncccc12.
What is the InChIKey of 5-nitro-6-(4-phenylpiperidin-1-yl)quinoline?
The InChIKey is QELCQEPGLWUDLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c24-23(25)20-17-7-4-12-21-18(17)8-9-19(20)22-13-10-16(11-14-22)15-5-2-1-3-6-15/h1-9,12,16H,10-11,13-14H2.
What are the key properties of 5-nitro-6-(4-phenylpiperidin-1-yl)quinoline?
5-nitro-6-(4-phenylpiperidin-1-yl)quinoline has a molecular weight of 333.39 g/mol, XLogP of 4.53, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-6-(4-phenylpiperidin-1-yl)quinoline is sourced from PubChem (CID 71892028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).