N-(1-cyclopropylpiperidin-4-yl)-5-nitroquinolin-8-amine

C17H20N4O2 — CID 31655000

IUPACN-(1-cyclopropylpiperidin-4-yl)-5-nitroquinolin-8-amine
SMILESO=[N+]([O-])c1ccc(NC2CCN(C3CC3)CC2)c2ncccc12
InChIInChI=1S/C17H20N4O2/c22-21(23)16-6-5-15(17-14(16)2-1-9-18-17)19-12-7-10-20(11-8-12)13-3-4-13/h1-2,5-6,9,12-13,19H,3-4,7-8,10-11H2
InChIKeyPKKVFFRNHNALTK-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.18
Rot. Bonds4

About N-(1-cyclopropylpiperidin-4-yl)-5-nitroquinolin-8-amine

N-(1-cyclopropylpiperidin-4-yl)-5-nitroquinolin-8-amine (PubChem CID 31655000) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-(1-cyclopropylpiperidin-4-yl)-5-nitroquinolin-8-amine.

Molecular Properties

Compound NameN-(1-cyclopropylpiperidin-4-yl)-5-nitroquinolin-8-amine
PubChem CID31655000
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC NameN-(1-cyclopropylpiperidin-4-yl)-5-nitroquinolin-8-amine
SMILESO=[N+]([O-])c1ccc(NC2CCN(C3CC3)CC2)c2ncccc12
InChIInChI=1S/C17H20N4O2/c22-21(23)16-6-5-15(17-14(16)2-1-9-18-17)19-12-7-10-20(11-8-12)13-3-4-13/h1-2,5-6,9,12-13,19H,3-4,7-8,10-11H2
InChIKeyPKKVFFRNHNALTK-UHFFFAOYSA-N
XLogP3.18
TPSA71.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.18
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-(1-cyclopropylpiperidin-4-yl)-5-nitroquinolin-8-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

N-(1-cyclopropylsulfonylpiperidin-4-yl)-5-nitroquinolin-8-amine
CID 133348605
1-cyclopropyl-4-[(5-nitroquinolin-8-yl)amino]pyrrolidin-2-one
CID 133357470
N-(3-methoxycyclohexyl)-5-nitroquinolin-8-amine
CID 133399168
4-[(5-nitroquinolin-8-yl)amino]pyrrolidin-2-one
CID 46238574
N-cycloheptyl-8-nitroquinolin-5-amine
CID 43386323
N-(3-methylsulfanylcyclopentyl)-5-nitroquinolin-8-amine
CID 103704192
N-(dicyclopropylmethyl)-5-nitroquinolin-8-amine
CID 60723743
N-(3-ethylsulfinylcyclohexyl)-5-nitroquinolin-8-amine
CID 133338025
N-cyclopropyl-N'-(8-nitroquinolin-5-yl)ethane-1,2-diamine
CID 62664848
N-(2-cyclobutylethyl)-5-nitroquinolin-8-amine
CID 115689907
5-nitro-N-(2,2,5,5-tetramethyloxolan-3-yl)quinolin-8-amine
CID 133439270
N-(2,5-dimethylpyrrol-1-yl)-5-nitroquinolin-8-amine
CID 79108207

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylpiperidin-4-yl)-5-nitroquinolin-8-amine?
The IUPAC name of N-(1-cyclopropylpiperidin-4-yl)-5-nitroquinolin-8-amine (CID 31655000) is N-(1-cyclopropylpiperidin-4-yl)-5-nitroquinolin-8-amine.
What is the SMILES notation for N-(1-cyclopropylpiperidin-4-yl)-5-nitroquinolin-8-amine?
The canonical SMILES for N-(1-cyclopropylpiperidin-4-yl)-5-nitroquinolin-8-amine is O=[N+]([O-])c1ccc(NC2CCN(C3CC3)CC2)c2ncccc12.
What is the InChIKey of N-(1-cyclopropylpiperidin-4-yl)-5-nitroquinolin-8-amine?
The InChIKey is PKKVFFRNHNALTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c22-21(23)16-6-5-15(17-14(16)2-1-9-18-17)19-12-7-10-20(11-8-12)13-3-4-13/h1-2,5-6,9,12-13,19H,3-4,7-8,10-11H2.
What are the key properties of N-(1-cyclopropylpiperidin-4-yl)-5-nitroquinolin-8-amine?
N-(1-cyclopropylpiperidin-4-yl)-5-nitroquinolin-8-amine has a molecular weight of 312.37 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylpiperidin-4-yl)-5-nitroquinolin-8-amine is sourced from PubChem (CID 31655000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).