3-nitro-1-phenyl-4-piperidin-1-ylquinolin-2-one

C20H19N3O3 — CID 2870186

IUPAC3-nitro-1-phenyl-4-piperidin-1-ylquinolin-2-one
SMILESO=c1c([N+](=O)[O-])c(N2CCCCC2)c2ccccc2n1-c1ccccc1
InChIInChI=1S/C20H19N3O3/c24-20-19(23(25)26)18(21-13-7-2-8-14-21)16-11-5-6-12-17(16)22(20)15-9-3-1-4-10-15/h1,3-6,9-12H,2,7-8,13-14H2
InChIKeyFNRJSENHNOAUHO-UHFFFAOYSA-N
MW349.39 g/mol
LogP3.89
Rot. Bonds3

About 3-nitro-1-phenyl-4-piperidin-1-ylquinolin-2-one

3-nitro-1-phenyl-4-piperidin-1-ylquinolin-2-one (PubChem CID 2870186) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is 3-nitro-1-phenyl-4-piperidin-1-ylquinolin-2-one.

Molecular Properties

Compound Name3-nitro-1-phenyl-4-piperidin-1-ylquinolin-2-one
PubChem CID2870186
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name3-nitro-1-phenyl-4-piperidin-1-ylquinolin-2-one
SMILESO=c1c([N+](=O)[O-])c(N2CCCCC2)c2ccccc2n1-c1ccccc1
InChIInChI=1S/C20H19N3O3/c24-20-19(23(25)26)18(21-13-7-2-8-14-21)16-11-5-6-12-17(16)22(20)15-9-3-1-4-10-15/h1,3-6,9-12H,2,7-8,13-14H2
InChIKeyFNRJSENHNOAUHO-UHFFFAOYSA-N
XLogP3.89
TPSA68.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.89
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of 3-nitro-1-phenyl-4-piperidin-1-ylquinolin-2-one?
The IUPAC name of 3-nitro-1-phenyl-4-piperidin-1-ylquinolin-2-one (CID 2870186) is 3-nitro-1-phenyl-4-piperidin-1-ylquinolin-2-one.
What is the SMILES notation for 3-nitro-1-phenyl-4-piperidin-1-ylquinolin-2-one?
The canonical SMILES for 3-nitro-1-phenyl-4-piperidin-1-ylquinolin-2-one is O=c1c([N+](=O)[O-])c(N2CCCCC2)c2ccccc2n1-c1ccccc1.
What is the InChIKey of 3-nitro-1-phenyl-4-piperidin-1-ylquinolin-2-one?
The InChIKey is FNRJSENHNOAUHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c24-20-19(23(25)26)18(21-13-7-2-8-14-21)16-11-5-6-12-17(16)22(20)15-9-3-1-4-10-15/h1,3-6,9-12H,2,7-8,13-14H2.
What are the key properties of 3-nitro-1-phenyl-4-piperidin-1-ylquinolin-2-one?
3-nitro-1-phenyl-4-piperidin-1-ylquinolin-2-one has a molecular weight of 349.39 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-1-phenyl-4-piperidin-1-ylquinolin-2-one is sourced from PubChem (CID 2870186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).