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

C15H19N3O2 — CID 106329770

IUPACN-(3-methylpentan-3-yl)-3-nitroquinolin-4-amine
SMILESCCC(C)(CC)Nc1c([N+](=O)[O-])cnc2ccccc12
InChIInChI=1S/C15H19N3O2/c1-4-15(3,5-2)17-14-11-8-6-7-9-12(11)16-10-13(14)18(19)20/h6-10H,4-5H2,1-3H3,(H,16,17)
InChIKeyADLWVCABFDGXSL-UHFFFAOYSA-N
MW273.34 g/mol
LogP4.13
Rot. Bonds5

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

N-(3-methylpentan-3-yl)-3-nitroquinolin-4-amine (PubChem CID 106329770) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-(3-methylpentan-3-yl)-3-nitroquinolin-4-amine.

Molecular Properties

Compound NameN-(3-methylpentan-3-yl)-3-nitroquinolin-4-amine
PubChem CID106329770
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN-(3-methylpentan-3-yl)-3-nitroquinolin-4-amine
SMILESCCC(C)(CC)Nc1c([N+](=O)[O-])cnc2ccccc12
InChIInChI=1S/C15H19N3O2/c1-4-15(3,5-2)17-14-11-8-6-7-9-12(11)16-10-13(14)18(19)20/h6-10H,4-5H2,1-3H3,(H,16,17)
InChIKeyADLWVCABFDGXSL-UHFFFAOYSA-N
XLogP4.13
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 ≤ 54.13
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

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
N-(2-methylpentan-3-yl)-3-nitroquinolin-4-amine
CID 103964023
N-(1-methoxypropyl)-3-nitroquinolin-4-amine
CID 67837777
N-(3-nitroquinolin-4-yl)methanesulfinamide
CID 164871225
2-[(3-nitroquinolin-4-yl)amino]propan-1-ol
CID 14700381
4-[[(3-nitroquinolin-4-yl)amino]methyl]phenol
CID 171398102
N-(2-bromoprop-2-enyl)-3-nitroquinolin-4-amine
CID 113465098
2-[(3-nitroquinolin-4-yl)amino]ethyl carbamate
CID 23019820
3-[(3-nitroquinolin-4-yl)amino]butan-1-ol
CID 103964141
3-[(3-nitroquinolin-4-yl)amino]propanamide
CID 103963977
5-[(3-nitroquinolin-4-yl)amino]pentan-2-ol
CID 106128996

Frequently Asked Questions

What is the IUPAC name of N-(3-methylpentan-3-yl)-3-nitroquinolin-4-amine?
The IUPAC name of N-(3-methylpentan-3-yl)-3-nitroquinolin-4-amine (CID 106329770) is N-(3-methylpentan-3-yl)-3-nitroquinolin-4-amine.
What is the SMILES notation for N-(3-methylpentan-3-yl)-3-nitroquinolin-4-amine?
The canonical SMILES for N-(3-methylpentan-3-yl)-3-nitroquinolin-4-amine is CCC(C)(CC)Nc1c([N+](=O)[O-])cnc2ccccc12.
What is the InChIKey of N-(3-methylpentan-3-yl)-3-nitroquinolin-4-amine?
The InChIKey is ADLWVCABFDGXSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-4-15(3,5-2)17-14-11-8-6-7-9-12(11)16-10-13(14)18(19)20/h6-10H,4-5H2,1-3H3,(H,16,17).
What are the key properties of N-(3-methylpentan-3-yl)-3-nitroquinolin-4-amine?
N-(3-methylpentan-3-yl)-3-nitroquinolin-4-amine has a molecular weight of 273.34 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylpentan-3-yl)-3-nitroquinolin-4-amine is sourced from PubChem (CID 106329770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).