N-(2-methylpentan-3-yl)-3-nitroquinolin-4-amine

C15H19N3O2 — CID 103964023

IUPACN-(2-methylpentan-3-yl)-3-nitroquinolin-4-amine
SMILESCCC(Nc1c([N+](=O)[O-])cnc2ccccc12)C(C)C
InChIInChI=1S/C15H19N3O2/c1-4-12(10(2)3)17-15-11-7-5-6-8-13(11)16-9-14(15)18(19)20/h5-10,12H,4H2,1-3H3,(H,16,17)
InChIKeyNUZIMPVZLNRACG-UHFFFAOYSA-N
MW273.34 g/mol
LogP3.99
Rot. Bonds5

About N-(2-methylpentan-3-yl)-3-nitroquinolin-4-amine

N-(2-methylpentan-3-yl)-3-nitroquinolin-4-amine (PubChem CID 103964023) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-(2-methylpentan-3-yl)-3-nitroquinolin-4-amine.

Molecular Properties

Compound NameN-(2-methylpentan-3-yl)-3-nitroquinolin-4-amine
PubChem CID103964023
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN-(2-methylpentan-3-yl)-3-nitroquinolin-4-amine
SMILESCCC(Nc1c([N+](=O)[O-])cnc2ccccc12)C(C)C
InChIInChI=1S/C15H19N3O2/c1-4-12(10(2)3)17-15-11-7-5-6-8-13(11)16-9-14(15)18(19)20/h5-10,12H,4H2,1-3H3,(H,16,17)
InChIKeyNUZIMPVZLNRACG-UHFFFAOYSA-N
XLogP3.99
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

N-(1-methoxy-3-methylbutan-2-yl)-3-nitroquinolin-4-amine
CID 103964097
N-(1-methoxypropyl)-3-nitroquinolin-4-amine
CID 67837777
2-[(3-nitroquinolin-4-yl)amino]propan-1-ol
CID 14700381
3-[(3-nitroquinolin-4-yl)amino]butan-1-ol
CID 103964141
N-(3-methylpentan-3-yl)-3-nitroquinolin-4-amine
CID 106329770
N-[(2R)-1-ethoxy-3-phenylpropan-2-yl]-3-nitroquinolin-4-amine
CID 155388594
N-[(1R)-1-cyclohexylethyl]-3-nitroquinolin-4-amine
CID 162716248
5-[(3-nitroquinolin-4-yl)amino]pentan-2-ol
CID 106128996
N-(3-nitroquinolin-4-yl)methanesulfinamide
CID 164871225
7-fluoro-N-(2-methylpentan-3-yl)-5-nitroquinolin-8-amine
CID 83165391
2-methyl-2-N-(3-nitroquinolin-4-yl)propane-1,2-diamine
CID 68820625
N-(2-methoxy-2-methylpropyl)-3-nitroquinolin-4-amine
CID 104762572

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpentan-3-yl)-3-nitroquinolin-4-amine?
The IUPAC name of N-(2-methylpentan-3-yl)-3-nitroquinolin-4-amine (CID 103964023) is N-(2-methylpentan-3-yl)-3-nitroquinolin-4-amine.
What is the SMILES notation for N-(2-methylpentan-3-yl)-3-nitroquinolin-4-amine?
The canonical SMILES for N-(2-methylpentan-3-yl)-3-nitroquinolin-4-amine is CCC(Nc1c([N+](=O)[O-])cnc2ccccc12)C(C)C.
What is the InChIKey of N-(2-methylpentan-3-yl)-3-nitroquinolin-4-amine?
The InChIKey is NUZIMPVZLNRACG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-4-12(10(2)3)17-15-11-7-5-6-8-13(11)16-9-14(15)18(19)20/h5-10,12H,4H2,1-3H3,(H,16,17).
What are the key properties of N-(2-methylpentan-3-yl)-3-nitroquinolin-4-amine?
N-(2-methylpentan-3-yl)-3-nitroquinolin-4-amine has a molecular weight of 273.34 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpentan-3-yl)-3-nitroquinolin-4-amine is sourced from PubChem (CID 103964023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).