N,2-dimethyl-N'-(5-nitroquinolin-8-yl)propane-1,3-diamine

C14H18N4O2 — CID 115302966

IUPACN,2-dimethyl-N'-(5-nitroquinolin-8-yl)propane-1,3-diamine
SMILESCNCC(C)CNc1ccc([N+](=O)[O-])c2cccnc12
InChIInChI=1S/C14H18N4O2/c1-10(8-15-2)9-17-12-5-6-13(18(19)20)11-4-3-7-16-14(11)12/h3-7,10,15,17H,8-9H2,1-2H3
InChIKeyASJSVVXODFOCLU-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.41
Rot. Bonds6

About N,2-dimethyl-N'-(5-nitroquinolin-8-yl)propane-1,3-diamine

N,2-dimethyl-N'-(5-nitroquinolin-8-yl)propane-1,3-diamine (PubChem CID 115302966) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is N,2-dimethyl-N'-(5-nitroquinolin-8-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN,2-dimethyl-N'-(5-nitroquinolin-8-yl)propane-1,3-diamine
PubChem CID115302966
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC NameN,2-dimethyl-N'-(5-nitroquinolin-8-yl)propane-1,3-diamine
SMILESCNCC(C)CNc1ccc([N+](=O)[O-])c2cccnc12
InChIInChI=1S/C14H18N4O2/c1-10(8-15-2)9-17-12-5-6-13(18(19)20)11-4-3-7-16-14(11)12/h3-7,10,15,17H,8-9H2,1-2H3
InChIKeyASJSVVXODFOCLU-UHFFFAOYSA-N
XLogP2.41
TPSA80.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.41
H-Bond Donors ≤ 52
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,2-dimethyl-N'-(5-nitroquinolin-8-yl)propane-1,3-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

1-N-(5-nitroquinolin-8-yl)propane-1,2-diamine
CID 3349985
N-(2-methylsulfanylpropyl)-5-nitroquinolin-8-amine
CID 115886152
1-N-(5-nitroquinolin-8-yl)butane-1,2-diamine
CID 63731820
N,N'-bis(5-nitroquinolin-8-yl)butane-1,4-diamine
CID 3119298
N-(2-methylsulfanylethyl)-5-nitroquinolin-8-amine
CID 60726466
1-(2-fluorophenyl)-2-[(5-nitroquinolin-8-yl)amino]ethanol
CID 133351529
N-(2-ethoxy-2-methylpropyl)-5-nitroquinolin-8-amine
CID 114942850
N-(2,5-dimethylpyrrol-1-yl)-5-nitroquinolin-8-amine
CID 79108207
2-[(5-nitroquinolin-8-yl)amino]propane-1,3-diol
CID 65314483
N-(2,2-dimethoxyethyl)-8-nitroquinolin-5-amine
CID 107390120
N-[3-[(5-nitroquinolin-8-yl)amino]propyl]methanesulfonamide
CID 36729613
1-(4-fluorophenoxy)-3-[(5-nitroquinolin-8-yl)amino]propan-2-ol
CID 133272703

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N'-(5-nitroquinolin-8-yl)propane-1,3-diamine?
The IUPAC name of N,2-dimethyl-N'-(5-nitroquinolin-8-yl)propane-1,3-diamine (CID 115302966) is N,2-dimethyl-N'-(5-nitroquinolin-8-yl)propane-1,3-diamine.
What is the SMILES notation for N,2-dimethyl-N'-(5-nitroquinolin-8-yl)propane-1,3-diamine?
The canonical SMILES for N,2-dimethyl-N'-(5-nitroquinolin-8-yl)propane-1,3-diamine is CNCC(C)CNc1ccc([N+](=O)[O-])c2cccnc12.
What is the InChIKey of N,2-dimethyl-N'-(5-nitroquinolin-8-yl)propane-1,3-diamine?
The InChIKey is ASJSVVXODFOCLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-10(8-15-2)9-17-12-5-6-13(18(19)20)11-4-3-7-16-14(11)12/h3-7,10,15,17H,8-9H2,1-2H3.
What are the key properties of N,2-dimethyl-N'-(5-nitroquinolin-8-yl)propane-1,3-diamine?
N,2-dimethyl-N'-(5-nitroquinolin-8-yl)propane-1,3-diamine has a molecular weight of 274.32 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N'-(5-nitroquinolin-8-yl)propane-1,3-diamine is sourced from PubChem (CID 115302966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).