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

Related Compounds

[1-(5-nitroquinolin-6-yl)piperidin-3-yl]methanol
CID 47044516
3-methyl-1-(5-nitroquinolin-6-yl)piperidin-4-amine
CID 79874850
5-nitro-6-(4-phenylpiperidin-1-yl)quinoline
CID 71892028
N-[1-(5-nitroquinolin-6-yl)piperidin-4-yl]benzamide
CID 47044541
5-nitro-6-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]quinoline
CID 133300760
N-[(3S)-1-methylsulfonylpiperidin-3-yl]-5-nitroquinolin-6-amine
CID 52505239
methyl 2-(5-nitroquinolin-6-yl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylate
CID 133450114
6-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-5-nitroquinoline
CID 51117036
1-(3-chloro-2-nitrophenyl)-N-methylpyrrolidin-3-amine
CID 104839441
N-methyl-1-(6-nitroquinolin-2-yl)piperidin-3-amine
CID 62545842
4-[3-(methylamino)piperidin-1-yl]-3-nitrobenzamide
CID 62547613
6-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-5-nitroquinoline
CID 112839868

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).