N-(1-methoxy-3-methylbutan-2-yl)-3-nitroquinolin-4-amine

C15H19N3O3 — CID 103964097

IUPACN-(1-methoxy-3-methylbutan-2-yl)-3-nitroquinolin-4-amine
SMILESCOCC(Nc1c([N+](=O)[O-])cnc2ccccc12)C(C)C
InChIInChI=1S/C15H19N3O3/c1-10(2)13(9-21-3)17-15-11-6-4-5-7-12(11)16-8-14(15)18(19)20/h4-8,10,13H,9H2,1-3H3,(H,16,17)
InChIKeyTUKQRZKXJXSMKD-UHFFFAOYSA-N
MW289.33 g/mol
LogP3.23
Rot. Bonds6

About N-(1-methoxy-3-methylbutan-2-yl)-3-nitroquinolin-4-amine

N-(1-methoxy-3-methylbutan-2-yl)-3-nitroquinolin-4-amine (PubChem CID 103964097) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is N-(1-methoxy-3-methylbutan-2-yl)-3-nitroquinolin-4-amine.

Molecular Properties

Compound NameN-(1-methoxy-3-methylbutan-2-yl)-3-nitroquinolin-4-amine
PubChem CID103964097
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC NameN-(1-methoxy-3-methylbutan-2-yl)-3-nitroquinolin-4-amine
SMILESCOCC(Nc1c([N+](=O)[O-])cnc2ccccc12)C(C)C
InChIInChI=1S/C15H19N3O3/c1-10(2)13(9-21-3)17-15-11-6-4-5-7-12(11)16-8-14(15)18(19)20/h4-8,10,13H,9H2,1-3H3,(H,16,17)
InChIKeyTUKQRZKXJXSMKD-UHFFFAOYSA-N
XLogP3.23
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 53.23
H-Bond Donors ≤ 51
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'}

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Related Compounds

N-(2-methylpentan-3-yl)-3-nitroquinolin-4-amine
CID 103964023
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-[(2R)-1-ethoxy-3-phenylpropan-2-yl]-3-nitroquinolin-4-amine
CID 155388594
N-(2-methoxy-2-methylpropyl)-3-nitroquinolin-4-amine
CID 104762572
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
N-(3-methylpentan-3-yl)-3-nitroquinolin-4-amine
CID 106329770
2-[(1-methoxy-3-methylbutan-2-yl)amino]-3-nitrobenzoic acid
CID 115932473
2-methyl-2-N-(3-nitroquinolin-4-yl)propane-1,2-diamine
CID 68820625

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxy-3-methylbutan-2-yl)-3-nitroquinolin-4-amine?
The IUPAC name of N-(1-methoxy-3-methylbutan-2-yl)-3-nitroquinolin-4-amine (CID 103964097) is N-(1-methoxy-3-methylbutan-2-yl)-3-nitroquinolin-4-amine.
What is the SMILES notation for N-(1-methoxy-3-methylbutan-2-yl)-3-nitroquinolin-4-amine?
The canonical SMILES for N-(1-methoxy-3-methylbutan-2-yl)-3-nitroquinolin-4-amine is COCC(Nc1c([N+](=O)[O-])cnc2ccccc12)C(C)C.
What is the InChIKey of N-(1-methoxy-3-methylbutan-2-yl)-3-nitroquinolin-4-amine?
The InChIKey is TUKQRZKXJXSMKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-10(2)13(9-21-3)17-15-11-6-4-5-7-12(11)16-8-14(15)18(19)20/h4-8,10,13H,9H2,1-3H3,(H,16,17).
What are the key properties of N-(1-methoxy-3-methylbutan-2-yl)-3-nitroquinolin-4-amine?
N-(1-methoxy-3-methylbutan-2-yl)-3-nitroquinolin-4-amine has a molecular weight of 289.33 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxy-3-methylbutan-2-yl)-3-nitroquinolin-4-amine is sourced from PubChem (CID 103964097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).