5-nitro-N-(2-pyrrolidin-1-ylethyl)quinolin-6-amine

C15H18N4O2 — CID 60970060

IUPAC5-nitro-N-(2-pyrrolidin-1-ylethyl)quinolin-6-amine
SMILESO=[N+]([O-])c1c(NCCN2CCCC2)ccc2ncccc12
InChIInChI=1S/C15H18N4O2/c20-19(21)15-12-4-3-7-16-13(12)5-6-14(15)17-8-11-18-9-1-2-10-18/h3-7,17H,1-2,8-11H2
InChIKeyAUVLOOWRCSRGDD-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.65
Rot. Bonds5

About 5-nitro-N-(2-pyrrolidin-1-ylethyl)quinolin-6-amine

5-nitro-N-(2-pyrrolidin-1-ylethyl)quinolin-6-amine (PubChem CID 60970060) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 5-nitro-N-(2-pyrrolidin-1-ylethyl)quinolin-6-amine.

Molecular Properties

Compound Name5-nitro-N-(2-pyrrolidin-1-ylethyl)quinolin-6-amine
PubChem CID60970060
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name5-nitro-N-(2-pyrrolidin-1-ylethyl)quinolin-6-amine
SMILESO=[N+]([O-])c1c(NCCN2CCCC2)ccc2ncccc12
InChIInChI=1S/C15H18N4O2/c20-19(21)15-12-4-3-7-16-13(12)5-6-14(15)17-8-11-18-9-1-2-10-18/h3-7,17H,1-2,8-11H2
InChIKeyAUVLOOWRCSRGDD-UHFFFAOYSA-N
XLogP2.65
TPSA71.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.65
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 5-nitro-N-(2-pyrrolidin-1-ylethyl)quinolin-6-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

2-[(5-nitroquinolin-6-yl)amino]ethanol
CID 43809978
N-(2-cyclopentylethyl)-5-nitroquinolin-6-amine
CID 63536615
5-nitro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]quinolin-6-amine
CID 104972848
5-nitro-N-(2-pyridin-2-ylethyl)quinolin-6-amine
CID 51117035
6-[(5-nitroquinolin-6-yl)amino]hexan-1-ol
CID 103918121
N'-(5-nitroquinolin-6-yl)-N-phenylpropane-1,3-diamine
CID 86938939
N',N'-diethyl-N-(5-nitroquinolin-6-yl)ethane-1,2-diamine
CID 43809964
5-nitro-N-(2-propan-2-yloxyethyl)quinolin-6-amine
CID 104577066
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-5-nitroquinolin-6-amine
CID 55829623
N-(4-methylsulfanylbutyl)-5-nitroquinolin-6-amine
CID 115637438
N-(2-methoxy-2-methylpropyl)-5-nitroquinolin-6-amine
CID 115658506
N-(3-methylsulfanylbutyl)-5-nitroquinolin-6-amine
CID 115622183

Frequently Asked Questions

What is the IUPAC name of 5-nitro-N-(2-pyrrolidin-1-ylethyl)quinolin-6-amine?
The IUPAC name of 5-nitro-N-(2-pyrrolidin-1-ylethyl)quinolin-6-amine (CID 60970060) is 5-nitro-N-(2-pyrrolidin-1-ylethyl)quinolin-6-amine.
What is the SMILES notation for 5-nitro-N-(2-pyrrolidin-1-ylethyl)quinolin-6-amine?
The canonical SMILES for 5-nitro-N-(2-pyrrolidin-1-ylethyl)quinolin-6-amine is O=[N+]([O-])c1c(NCCN2CCCC2)ccc2ncccc12.
What is the InChIKey of 5-nitro-N-(2-pyrrolidin-1-ylethyl)quinolin-6-amine?
The InChIKey is AUVLOOWRCSRGDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c20-19(21)15-12-4-3-7-16-13(12)5-6-14(15)17-8-11-18-9-1-2-10-18/h3-7,17H,1-2,8-11H2.
What are the key properties of 5-nitro-N-(2-pyrrolidin-1-ylethyl)quinolin-6-amine?
5-nitro-N-(2-pyrrolidin-1-ylethyl)quinolin-6-amine has a molecular weight of 286.33 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-N-(2-pyrrolidin-1-ylethyl)quinolin-6-amine is sourced from PubChem (CID 60970060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).