N,N''-Dimethyl-N-(6-nitro-quinolin-2-yl)-ethane-1,2-diamine

C13H16N4O2 — CID 44286609

IUPACN,N'-dimethyl-N'-(6-nitroquinolin-2-yl)ethane-1,2-diamine
SMILESCNCCN(C)C1=NC2=C(C=C1)C=C(C=C2)[N+](=O)[O-]
InChIInChI=1S/C13H16N4O2/c1-14-7-8-16(2)13-6-3-10-9-11(17(18)19)4-5-12(10)15-13/h3-6,9,14H,7-8H2,1-2H3
InChIKeyIKJNHQAZMRXNES-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.00
Rot. Bonds4

About N,N''-Dimethyl-N-(6-nitro-quinolin-2-yl)-ethane-1,2-diamine

N,N''-Dimethyl-N-(6-nitro-quinolin-2-yl)-ethane-1,2-diamine (PubChem CID 44286609) has the molecular formula C13H16N4O2 and a molecular weight of 260.29 g/mol. Its IUPAC name is N,N'-dimethyl-N'-(6-nitroquinolin-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN,N''-Dimethyl-N-(6-nitro-quinolin-2-yl)-ethane-1,2-diamine
PubChem CID44286609
Molecular FormulaC13H16N4O2
Molecular Weight260.29 g/mol
Exact Mass260.13
IUPAC NameN,N'-dimethyl-N'-(6-nitroquinolin-2-yl)ethane-1,2-diamine
SMILESCNCCN(C)C1=NC2=C(C=C1)C=C(C=C2)[N+](=O)[O-]
InChIInChI=1S/C13H16N4O2/c1-14-7-8-16(2)13-6-3-10-9-11(17(18)19)4-5-12(10)15-13/h3-6,9,14H,7-8H2,1-2H3
InChIKeyIKJNHQAZMRXNES-UHFFFAOYSA-N
XLogP2.00
TPSA74.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity308

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.00
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,N''-Dimethyl-N-(6-nitro-quinolin-2-yl)-ethane-1,2-diamine 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

Quipazine
CID 5011
4-Methyl-2-piperazin-1-yl-quinoline
CID 598754
6-Nitroquipazine
CID 5012
2,4-Diamino-6-nitroquinazoline
CID 252163
N-Methylquipazine
CID 5013
4-Bromo-6-nitroquipazine
CID 132590
4-Chloro-6-nitro-2-(piperazin-1-YL)quinoline
CID 10334554
2-(4-Propyl-piperazin-1-yl)-quinoline
CID 11370427
3-Bromo-6-nitro-2-piperazin-1-yl-quinoline
CID 10246440
2-[1,4]Diazepan-1-yl-6-nitro-quinoline
CID 10445930
6-Iodo-2-piperazin-1-yl-quinoline
CID 12044728
2-(3-Methyl-piperazin-1-yl)-6-nitro-quinoline
CID 44286607

Frequently Asked Questions

What is the IUPAC name of N,N''-Dimethyl-N-(6-nitro-quinolin-2-yl)-ethane-1,2-diamine?
The IUPAC name of N,N''-Dimethyl-N-(6-nitro-quinolin-2-yl)-ethane-1,2-diamine (CID 44286609) is N,N'-dimethyl-N'-(6-nitroquinolin-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N,N''-Dimethyl-N-(6-nitro-quinolin-2-yl)-ethane-1,2-diamine?
The canonical SMILES for N,N''-Dimethyl-N-(6-nitro-quinolin-2-yl)-ethane-1,2-diamine is CNCCN(C)C1=NC2=C(C=C1)C=C(C=C2)[N+](=O)[O-].
What is the InChIKey of N,N''-Dimethyl-N-(6-nitro-quinolin-2-yl)-ethane-1,2-diamine?
The InChIKey is IKJNHQAZMRXNES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-14-7-8-16(2)13-6-3-10-9-11(17(18)19)4-5-12(10)15-13/h3-6,9,14H,7-8H2,1-2H3.
What are the key properties of N,N''-Dimethyl-N-(6-nitro-quinolin-2-yl)-ethane-1,2-diamine?
N,N''-Dimethyl-N-(6-nitro-quinolin-2-yl)-ethane-1,2-diamine has a molecular weight of 260.29 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N''-Dimethyl-N-(6-nitro-quinolin-2-yl)-ethane-1,2-diamine is sourced from PubChem (CID 44286609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).