N',N'-diethyl-N-(5-nitroquinolin-6-yl)ethane-1,2-diamine

C15H20N4O2 — CID 43809964

IUPACN',N'-diethyl-N-(5-nitroquinolin-6-yl)ethane-1,2-diamine
SMILESCCN(CC)CCNc1ccc2ncccc2c1[N+](=O)[O-]
InChIInChI=1S/C15H20N4O2/c1-3-18(4-2)11-10-17-14-8-7-13-12(6-5-9-16-13)15(14)19(20)21/h5-9,17H,3-4,10-11H2,1-2H3
InChIKeyITKCFINLAKMEBT-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.90
Rot. Bonds7

About N',N'-diethyl-N-(5-nitroquinolin-6-yl)ethane-1,2-diamine

N',N'-diethyl-N-(5-nitroquinolin-6-yl)ethane-1,2-diamine (PubChem CID 43809964) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is N',N'-diethyl-N-(5-nitroquinolin-6-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-(5-nitroquinolin-6-yl)ethane-1,2-diamine
PubChem CID43809964
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC NameN',N'-diethyl-N-(5-nitroquinolin-6-yl)ethane-1,2-diamine
SMILESCCN(CC)CCNc1ccc2ncccc2c1[N+](=O)[O-]
InChIInChI=1S/C15H20N4O2/c1-3-18(4-2)11-10-17-14-8-7-13-12(6-5-9-16-13)15(14)19(20)21/h5-9,17H,3-4,10-11H2,1-2H3
InChIKeyITKCFINLAKMEBT-UHFFFAOYSA-N
XLogP2.90
TPSA71.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.90
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'}

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Related Compounds

2-[(5-nitroquinolin-6-yl)amino]ethanol
CID 43809978
5-nitro-N-(2-propan-2-yloxyethyl)quinolin-6-amine
CID 104577066
N-(4-methylsulfanylbutyl)-5-nitroquinolin-6-amine
CID 115637438
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-(3-methylsulfanylbutyl)-5-nitroquinolin-6-amine
CID 115622183
N-(2-cyclopentylethyl)-5-nitroquinolin-6-amine
CID 63536615
5-nitro-N-(2-pyrrolidin-1-ylethyl)quinolin-6-amine
CID 60970060
N-(2-methoxy-2-methylpropyl)-5-nitroquinolin-6-amine
CID 115658506
N-(2-ethoxypropyl)-5-nitroquinolin-6-amine
CID 115658194
N-[[1-(dimethylamino)cyclopentyl]methyl]-5-nitroquinolin-6-amine
CID 56584812

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-(5-nitroquinolin-6-yl)ethane-1,2-diamine?
The IUPAC name of N',N'-diethyl-N-(5-nitroquinolin-6-yl)ethane-1,2-diamine (CID 43809964) is N',N'-diethyl-N-(5-nitroquinolin-6-yl)ethane-1,2-diamine.
What is the SMILES notation for N',N'-diethyl-N-(5-nitroquinolin-6-yl)ethane-1,2-diamine?
The canonical SMILES for N',N'-diethyl-N-(5-nitroquinolin-6-yl)ethane-1,2-diamine is CCN(CC)CCNc1ccc2ncccc2c1[N+](=O)[O-].
What is the InChIKey of N',N'-diethyl-N-(5-nitroquinolin-6-yl)ethane-1,2-diamine?
The InChIKey is ITKCFINLAKMEBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-3-18(4-2)11-10-17-14-8-7-13-12(6-5-9-16-13)15(14)19(20)21/h5-9,17H,3-4,10-11H2,1-2H3.
What are the key properties of N',N'-diethyl-N-(5-nitroquinolin-6-yl)ethane-1,2-diamine?
N',N'-diethyl-N-(5-nitroquinolin-6-yl)ethane-1,2-diamine has a molecular weight of 288.35 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-(5-nitroquinolin-6-yl)ethane-1,2-diamine is sourced from PubChem (CID 43809964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).