N-methyl-1-(5-nitroquinolin-6-yl)piperidin-3-amine

C15H18N4O2 — CID 62547076

IUPACN-methyl-1-(5-nitroquinolin-6-yl)piperidin-3-amine
SMILESCNC1CCCN(c2ccc3ncccc3c2[N+](=O)[O-])C1
InChIInChI=1S/C15H18N4O2/c1-16-11-4-3-9-18(10-11)14-7-6-13-12(5-2-8-17-13)15(14)19(20)21/h2,5-8,11,16H,3-4,9-10H2,1H3
InChIKeyFXZQDZVHKSJOKG-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.33
Rot. Bonds3

About N-methyl-1-(5-nitroquinolin-6-yl)piperidin-3-amine

N-methyl-1-(5-nitroquinolin-6-yl)piperidin-3-amine (PubChem CID 62547076) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-methyl-1-(5-nitroquinolin-6-yl)piperidin-3-amine.

Molecular Properties

Compound NameN-methyl-1-(5-nitroquinolin-6-yl)piperidin-3-amine
PubChem CID62547076
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC NameN-methyl-1-(5-nitroquinolin-6-yl)piperidin-3-amine
SMILESCNC1CCCN(c2ccc3ncccc3c2[N+](=O)[O-])C1
InChIInChI=1S/C15H18N4O2/c1-16-11-4-3-9-18(10-11)14-7-6-13-12(5-2-8-17-13)15(14)19(20)21/h2,5-8,11,16H,3-4,9-10H2,1H3
InChIKeyFXZQDZVHKSJOKG-UHFFFAOYSA-N
XLogP2.33
TPSA71.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.33
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'}

Analyze N-methyl-1-(5-nitroquinolin-6-yl)piperidin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(5-nitroquinolin-6-yl)piperidin-3-amine?
The IUPAC name of N-methyl-1-(5-nitroquinolin-6-yl)piperidin-3-amine (CID 62547076) is N-methyl-1-(5-nitroquinolin-6-yl)piperidin-3-amine.
What is the SMILES notation for N-methyl-1-(5-nitroquinolin-6-yl)piperidin-3-amine?
The canonical SMILES for N-methyl-1-(5-nitroquinolin-6-yl)piperidin-3-amine is CNC1CCCN(c2ccc3ncccc3c2[N+](=O)[O-])C1.
What is the InChIKey of N-methyl-1-(5-nitroquinolin-6-yl)piperidin-3-amine?
The InChIKey is FXZQDZVHKSJOKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-16-11-4-3-9-18(10-11)14-7-6-13-12(5-2-8-17-13)15(14)19(20)21/h2,5-8,11,16H,3-4,9-10H2,1H3.
What are the key properties of N-methyl-1-(5-nitroquinolin-6-yl)piperidin-3-amine?
N-methyl-1-(5-nitroquinolin-6-yl)piperidin-3-amine has a molecular weight of 286.33 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(5-nitroquinolin-6-yl)piperidin-3-amine is sourced from PubChem (CID 62547076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).