N-(2-ethoxy-2-methylpropyl)-5-nitroquinolin-8-amine

C15H19N3O3 — CID 114942850

IUPACN-(2-ethoxy-2-methylpropyl)-5-nitroquinolin-8-amine
SMILESCCOC(C)(C)CNc1ccc([N+](=O)[O-])c2cccnc12
InChIInChI=1S/C15H19N3O3/c1-4-21-15(2,3)10-17-12-7-8-13(18(19)20)11-6-5-9-16-14(11)12/h5-9,17H,4,10H2,1-3H3
InChIKeyIGGVLOJQQDDSPK-UHFFFAOYSA-N
MW289.33 g/mol
LogP3.37
Rot. Bonds6

About N-(2-ethoxy-2-methylpropyl)-5-nitroquinolin-8-amine

N-(2-ethoxy-2-methylpropyl)-5-nitroquinolin-8-amine (PubChem CID 114942850) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is N-(2-ethoxy-2-methylpropyl)-5-nitroquinolin-8-amine.

Molecular Properties

Compound NameN-(2-ethoxy-2-methylpropyl)-5-nitroquinolin-8-amine
PubChem CID114942850
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC NameN-(2-ethoxy-2-methylpropyl)-5-nitroquinolin-8-amine
SMILESCCOC(C)(C)CNc1ccc([N+](=O)[O-])c2cccnc12
InChIInChI=1S/C15H19N3O3/c1-4-21-15(2,3)10-17-12-7-8-13(18(19)20)11-6-5-9-16-14(11)12/h5-9,17H,4,10H2,1-3H3
InChIKeyIGGVLOJQQDDSPK-UHFFFAOYSA-N
XLogP3.37
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 ≤ 53.37
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-ethoxy-2-methylpropyl)-8-nitroisoquinolin-5-amine
CID 114942880
N,N'-bis(5-nitroquinolin-8-yl)butane-1,4-diamine
CID 3119298
N-(2-methylsulfanylpropyl)-5-nitroquinolin-8-amine
CID 115886152
1-N-(5-nitroquinolin-8-yl)butane-1,2-diamine
CID 63731820
1-N-(5-nitroquinolin-8-yl)propane-1,2-diamine
CID 3349985
N-(2-methylsulfanylethyl)-5-nitroquinolin-8-amine
CID 60726466
N,2-dimethyl-N'-(5-nitroquinolin-8-yl)propane-1,3-diamine
CID 115302966
N-(2-cyclobutylethyl)-5-nitroquinolin-8-amine
CID 115689907
2-ethyl-1-N-(8-nitroquinolin-5-yl)butane-1,2-diamine
CID 115306174
5-N-(2-ethoxy-2-methylpropyl)quinoline-5,8-diamine
CID 114940553
N-(2,5-dimethylpyrrol-1-yl)-5-nitroquinolin-8-amine
CID 79108207
5-nitro-N-(oxan-4-ylmethyl)quinolin-8-amine
CID 62350492

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxy-2-methylpropyl)-5-nitroquinolin-8-amine?
The IUPAC name of N-(2-ethoxy-2-methylpropyl)-5-nitroquinolin-8-amine (CID 114942850) is N-(2-ethoxy-2-methylpropyl)-5-nitroquinolin-8-amine.
What is the SMILES notation for N-(2-ethoxy-2-methylpropyl)-5-nitroquinolin-8-amine?
The canonical SMILES for N-(2-ethoxy-2-methylpropyl)-5-nitroquinolin-8-amine is CCOC(C)(C)CNc1ccc([N+](=O)[O-])c2cccnc12.
What is the InChIKey of N-(2-ethoxy-2-methylpropyl)-5-nitroquinolin-8-amine?
The InChIKey is IGGVLOJQQDDSPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-4-21-15(2,3)10-17-12-7-8-13(18(19)20)11-6-5-9-16-14(11)12/h5-9,17H,4,10H2,1-3H3.
What are the key properties of N-(2-ethoxy-2-methylpropyl)-5-nitroquinolin-8-amine?
N-(2-ethoxy-2-methylpropyl)-5-nitroquinolin-8-amine has a molecular weight of 289.33 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxy-2-methylpropyl)-5-nitroquinolin-8-amine is sourced from PubChem (CID 114942850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).