N'-(8-nitroquinolin-5-yl)butane-1,4-diamine

C13H16N4O2 — CID 60895239

IUPACN'-(8-nitroquinolin-5-yl)butane-1,4-diamine
SMILESNCCCCNc1ccc([N+](=O)[O-])c2ncccc12
InChIInChI=1S/C13H16N4O2/c14-7-1-2-8-15-11-5-6-12(17(18)19)13-10(11)4-3-9-16-13/h3-6,9,15H,1-2,7-8,14H2
InChIKeyOBFNBOBWJJDPEP-UHFFFAOYSA-N
MW260.30 g/mol
LogP2.29
Rot. Bonds6

About N'-(8-nitroquinolin-5-yl)butane-1,4-diamine

N'-(8-nitroquinolin-5-yl)butane-1,4-diamine (PubChem CID 60895239) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is N'-(8-nitroquinolin-5-yl)butane-1,4-diamine.

Molecular Properties

Compound NameN'-(8-nitroquinolin-5-yl)butane-1,4-diamine
PubChem CID60895239
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC NameN'-(8-nitroquinolin-5-yl)butane-1,4-diamine
SMILESNCCCCNc1ccc([N+](=O)[O-])c2ncccc12
InChIInChI=1S/C13H16N4O2/c14-7-1-2-8-15-11-5-6-12(17(18)19)13-10(11)4-3-9-16-13/h3-6,9,15H,1-2,7-8,14H2
InChIKeyOBFNBOBWJJDPEP-UHFFFAOYSA-N
XLogP2.29
TPSA94.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[(8-nitroquinolin-5-yl)amino]propan-1-ol
CID 43386308
N,N'-bis(5-nitroquinolin-8-yl)butane-1,4-diamine
CID 3119298
N-(3-methoxypropyl)-8-nitroquinolin-5-amine
CID 43386307
N-cyclopropyl-N'-(8-nitroquinolin-5-yl)ethane-1,2-diamine
CID 62664848
N-(2-methylsulfanylethyl)-8-nitroquinolin-5-amine
CID 60661616
3-[(8-nitroquinolin-5-yl)amino]propanoic acid
CID 43449368
1-[2-[(8-nitroquinolin-5-yl)amino]ethylamino]propan-2-ol
CID 104594236
2,3-dimethyl-2-N-(8-nitroquinolin-5-yl)butane-1,2-diamine
CID 115310850
4-[(8-nitroquinolin-4-yl)amino]butan-1-ol
CID 106842695
2-ethyl-1-N-(8-nitroquinolin-5-yl)butane-1,2-diamine
CID 115306174
N'-(7-fluoro-5-nitroquinolin-8-yl)propane-1,3-diamine
CID 83164489
2-cyclopropyl-2-N-(8-nitroquinolin-5-yl)propane-1,2-diamine
CID 115308115

Frequently Asked Questions

What is the IUPAC name of N'-(8-nitroquinolin-5-yl)butane-1,4-diamine?
The IUPAC name of N'-(8-nitroquinolin-5-yl)butane-1,4-diamine (CID 60895239) is N'-(8-nitroquinolin-5-yl)butane-1,4-diamine.
What is the SMILES notation for N'-(8-nitroquinolin-5-yl)butane-1,4-diamine?
The canonical SMILES for N'-(8-nitroquinolin-5-yl)butane-1,4-diamine is NCCCCNc1ccc([N+](=O)[O-])c2ncccc12.
What is the InChIKey of N'-(8-nitroquinolin-5-yl)butane-1,4-diamine?
The InChIKey is OBFNBOBWJJDPEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c14-7-1-2-8-15-11-5-6-12(17(18)19)13-10(11)4-3-9-16-13/h3-6,9,15H,1-2,7-8,14H2.
What are the key properties of N'-(8-nitroquinolin-5-yl)butane-1,4-diamine?
N'-(8-nitroquinolin-5-yl)butane-1,4-diamine has a molecular weight of 260.30 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(8-nitroquinolin-5-yl)butane-1,4-diamine is sourced from PubChem (CID 60895239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).