N-[[1-(dimethylamino)cyclopentyl]methyl]-5-nitroquinolin-6-amine

C17H22N4O2 — CID 56584812

IUPACN-[[1-(dimethylamino)cyclopentyl]methyl]-5-nitroquinolin-6-amine
SMILESCN(C)C1(CNc2ccc3ncccc3c2[N+](=O)[O-])CCCC1
InChIInChI=1S/C17H22N4O2/c1-20(2)17(9-3-4-10-17)12-19-15-8-7-14-13(6-5-11-18-14)16(15)21(22)23/h5-8,11,19H,3-4,9-10,12H2,1-2H3
InChIKeyVIJHWXQXPHDIJK-UHFFFAOYSA-N
MW314.39 g/mol
LogP3.43
Rot. Bonds5

About N-[[1-(dimethylamino)cyclopentyl]methyl]-5-nitroquinolin-6-amine

N-[[1-(dimethylamino)cyclopentyl]methyl]-5-nitroquinolin-6-amine (PubChem CID 56584812) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-[[1-(dimethylamino)cyclopentyl]methyl]-5-nitroquinolin-6-amine.

Molecular Properties

Compound NameN-[[1-(dimethylamino)cyclopentyl]methyl]-5-nitroquinolin-6-amine
PubChem CID56584812
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC NameN-[[1-(dimethylamino)cyclopentyl]methyl]-5-nitroquinolin-6-amine
SMILESCN(C)C1(CNc2ccc3ncccc3c2[N+](=O)[O-])CCCC1
InChIInChI=1S/C17H22N4O2/c1-20(2)17(9-3-4-10-17)12-19-15-8-7-14-13(6-5-11-18-14)16(15)21(22)23/h5-8,11,19H,3-4,9-10,12H2,1-2H3
InChIKeyVIJHWXQXPHDIJK-UHFFFAOYSA-N
XLogP3.43
TPSA71.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.43
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-(dimethylamino)cyclopentyl]methyl]-5-nitroquinolin-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

N-(1-methylcyclopentyl)-5-nitroquinolin-6-amine
CID 61366971
[1-[(5-nitroquinolin-6-yl)amino]cyclopentyl]methanol
CID 62519209
N-[[1-(dimethylamino)cyclopentyl]methyl]-3-hydrazinyl-2-nitroaniline
CID 83118794
N',N'-diethyl-N-(5-nitroquinolin-6-yl)ethane-1,2-diamine
CID 43809964
N-(2-cyclopentylethyl)-5-nitroquinolin-6-amine
CID 63536615
2-[(5-nitroquinolin-6-yl)amino]ethanol
CID 43809978
5-nitro-N-(2-pyrrolidin-1-ylethyl)quinolin-6-amine
CID 60970060
N'-(5-nitroquinolin-6-yl)-N-phenylpropane-1,3-diamine
CID 86938939
N-(2-methoxy-2-methylpropyl)-5-nitroquinolin-6-amine
CID 115658506
[1-[(5-nitroquinolin-6-yl)amino]cyclopropyl]methanol
CID 115868727
5-nitro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]quinolin-6-amine
CID 104972848
5-nitro-N-(2-propan-2-yloxyethyl)quinolin-6-amine
CID 104577066

Frequently Asked Questions

What is the IUPAC name of N-[[1-(dimethylamino)cyclopentyl]methyl]-5-nitroquinolin-6-amine?
The IUPAC name of N-[[1-(dimethylamino)cyclopentyl]methyl]-5-nitroquinolin-6-amine (CID 56584812) is N-[[1-(dimethylamino)cyclopentyl]methyl]-5-nitroquinolin-6-amine.
What is the SMILES notation for N-[[1-(dimethylamino)cyclopentyl]methyl]-5-nitroquinolin-6-amine?
The canonical SMILES for N-[[1-(dimethylamino)cyclopentyl]methyl]-5-nitroquinolin-6-amine is CN(C)C1(CNc2ccc3ncccc3c2[N+](=O)[O-])CCCC1.
What is the InChIKey of N-[[1-(dimethylamino)cyclopentyl]methyl]-5-nitroquinolin-6-amine?
The InChIKey is VIJHWXQXPHDIJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-20(2)17(9-3-4-10-17)12-19-15-8-7-14-13(6-5-11-18-14)16(15)21(22)23/h5-8,11,19H,3-4,9-10,12H2,1-2H3.
What are the key properties of N-[[1-(dimethylamino)cyclopentyl]methyl]-5-nitroquinolin-6-amine?
N-[[1-(dimethylamino)cyclopentyl]methyl]-5-nitroquinolin-6-amine has a molecular weight of 314.39 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(dimethylamino)cyclopentyl]methyl]-5-nitroquinolin-6-amine is sourced from PubChem (CID 56584812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).