N-cyclopropyl-N'-(8-nitroquinolin-5-yl)ethane-1,2-diamine

C14H16N4O2 — CID 62664848

IUPACN-cyclopropyl-N'-(8-nitroquinolin-5-yl)ethane-1,2-diamine
SMILESO=[N+]([O-])c1ccc(NCCNC2CC2)c2cccnc12
InChIInChI=1S/C14H16N4O2/c19-18(20)13-6-5-12(11-2-1-7-17-14(11)13)16-9-8-15-10-3-4-10/h1-2,5-7,10,15-16H,3-4,8-9H2
InChIKeyIIUQZZGVFRNTLO-UHFFFAOYSA-N
MW272.31 g/mol
LogP2.31
Rot. Bonds6

About N-cyclopropyl-N'-(8-nitroquinolin-5-yl)ethane-1,2-diamine

N-cyclopropyl-N'-(8-nitroquinolin-5-yl)ethane-1,2-diamine (PubChem CID 62664848) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is N-cyclopropyl-N'-(8-nitroquinolin-5-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-cyclopropyl-N'-(8-nitroquinolin-5-yl)ethane-1,2-diamine
PubChem CID62664848
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC NameN-cyclopropyl-N'-(8-nitroquinolin-5-yl)ethane-1,2-diamine
SMILESO=[N+]([O-])c1ccc(NCCNC2CC2)c2cccnc12
InChIInChI=1S/C14H16N4O2/c19-18(20)13-6-5-12(11-2-1-7-17-14(11)13)16-9-8-15-10-3-4-10/h1-2,5-7,10,15-16H,3-4,8-9H2
InChIKeyIIUQZZGVFRNTLO-UHFFFAOYSA-N
XLogP2.31
TPSA80.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 52.31
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

N-(cyclohexylmethyl)-8-nitroquinolin-5-amine
CID 43386314
N'-(8-nitroquinolin-5-yl)butane-1,4-diamine
CID 60895239
3-[(8-nitroquinolin-5-yl)amino]propan-1-ol
CID 43386308
N-cycloheptyl-8-nitroquinolin-5-amine
CID 43386323
8-nitro-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]quinolin-5-amine
CID 104973546
3-[(8-nitroquinolin-5-yl)amino]propanoic acid
CID 43449368
N-(2-methylsulfanylethyl)-8-nitroquinolin-5-amine
CID 60661616
N-(2-cyclobutylethyl)-5-nitroquinolin-8-amine
CID 115689907
2-cyclopropyl-2-N-(8-nitroquinolin-5-yl)propane-1,2-diamine
CID 115308115
N,N'-bis(5-nitroquinolin-8-yl)butane-1,4-diamine
CID 3119298
N-(3-methoxypropyl)-8-nitroquinolin-5-amine
CID 43386307
1-[2-[(8-nitroquinolin-5-yl)amino]ethylamino]propan-2-ol
CID 104594236

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N'-(8-nitroquinolin-5-yl)ethane-1,2-diamine?
The IUPAC name of N-cyclopropyl-N'-(8-nitroquinolin-5-yl)ethane-1,2-diamine (CID 62664848) is N-cyclopropyl-N'-(8-nitroquinolin-5-yl)ethane-1,2-diamine.
What is the SMILES notation for N-cyclopropyl-N'-(8-nitroquinolin-5-yl)ethane-1,2-diamine?
The canonical SMILES for N-cyclopropyl-N'-(8-nitroquinolin-5-yl)ethane-1,2-diamine is O=[N+]([O-])c1ccc(NCCNC2CC2)c2cccnc12.
What is the InChIKey of N-cyclopropyl-N'-(8-nitroquinolin-5-yl)ethane-1,2-diamine?
The InChIKey is IIUQZZGVFRNTLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c19-18(20)13-6-5-12(11-2-1-7-17-14(11)13)16-9-8-15-10-3-4-10/h1-2,5-7,10,15-16H,3-4,8-9H2.
What are the key properties of N-cyclopropyl-N'-(8-nitroquinolin-5-yl)ethane-1,2-diamine?
N-cyclopropyl-N'-(8-nitroquinolin-5-yl)ethane-1,2-diamine has a molecular weight of 272.31 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N'-(8-nitroquinolin-5-yl)ethane-1,2-diamine is sourced from PubChem (CID 62664848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).