5-nitro-N-[2-(4-propylphenoxy)ethyl]quinolin-8-amine

C20H21N3O3 — CID 2867395

IUPAC5-nitro-N-[2-(4-propylphenoxy)ethyl]quinolin-8-amine
SMILESCCCc1ccc(OCCNc2ccc([N+](=O)[O-])c3cccnc23)cc1
InChIInChI=1S/C20H21N3O3/c1-2-4-15-6-8-16(9-7-15)26-14-13-21-18-10-11-19(23(24)25)17-5-3-12-22-20(17)18/h3,5-12,21H,2,4,13-14H2,1H3
InChIKeyWUWVECJLYINJNG-UHFFFAOYSA-N
MW351.41 g/mol
LogP4.59
Rot. Bonds8

About 5-nitro-N-[2-(4-propylphenoxy)ethyl]quinolin-8-amine

5-nitro-N-[2-(4-propylphenoxy)ethyl]quinolin-8-amine (PubChem CID 2867395) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 5-nitro-N-[2-(4-propylphenoxy)ethyl]quinolin-8-amine.

Molecular Properties

Compound Name5-nitro-N-[2-(4-propylphenoxy)ethyl]quinolin-8-amine
PubChem CID2867395
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name5-nitro-N-[2-(4-propylphenoxy)ethyl]quinolin-8-amine
SMILESCCCc1ccc(OCCNc2ccc([N+](=O)[O-])c3cccnc23)cc1
InChIInChI=1S/C20H21N3O3/c1-2-4-15-6-8-16(9-7-15)26-14-13-21-18-10-11-19(23(24)25)17-5-3-12-22-20(17)18/h3,5-12,21H,2,4,13-14H2,1H3
InChIKeyWUWVECJLYINJNG-UHFFFAOYSA-N
XLogP4.59
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 54.59
H-Bond Donors ≤ 51
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-[2-(2-methylphenoxy)ethyl]-5-nitroquinolin-8-amine
CID 3119297
N,N'-bis(5-nitroquinolin-8-yl)butane-1,4-diamine
CID 3119298
N-(2-methylsulfanylethyl)-5-nitroquinolin-8-amine
CID 60726466
N-(3-cyclohexyloxypropyl)-5-nitroquinolin-8-amine
CID 31539522
N-(2-ethoxy-2-methylpropyl)-5-nitroquinolin-8-amine
CID 114942850
N-(3-methoxypropyl)-8-nitroquinolin-5-amine
CID 43386307
1-N-(5-nitroquinolin-8-yl)butane-1,2-diamine
CID 63731820
N-[3-[(5-nitroquinolin-8-yl)amino]propyl]methanesulfonamide
CID 36729613
5-nitro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]quinolin-8-amine
CID 64529666
1-N-(5-nitroquinolin-8-yl)propane-1,2-diamine
CID 3349985
N-[2-(5-nitroquinolin-8-yl)oxyethyl]propan-1-amine
CID 60863686
N-(2-cyclobutylethyl)-5-nitroquinolin-8-amine
CID 115689907

Frequently Asked Questions

What is the IUPAC name of 5-nitro-N-[2-(4-propylphenoxy)ethyl]quinolin-8-amine?
The IUPAC name of 5-nitro-N-[2-(4-propylphenoxy)ethyl]quinolin-8-amine (CID 2867395) is 5-nitro-N-[2-(4-propylphenoxy)ethyl]quinolin-8-amine.
What is the SMILES notation for 5-nitro-N-[2-(4-propylphenoxy)ethyl]quinolin-8-amine?
The canonical SMILES for 5-nitro-N-[2-(4-propylphenoxy)ethyl]quinolin-8-amine is CCCc1ccc(OCCNc2ccc([N+](=O)[O-])c3cccnc23)cc1.
What is the InChIKey of 5-nitro-N-[2-(4-propylphenoxy)ethyl]quinolin-8-amine?
The InChIKey is WUWVECJLYINJNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-2-4-15-6-8-16(9-7-15)26-14-13-21-18-10-11-19(23(24)25)17-5-3-12-22-20(17)18/h3,5-12,21H,2,4,13-14H2,1H3.
What are the key properties of 5-nitro-N-[2-(4-propylphenoxy)ethyl]quinolin-8-amine?
5-nitro-N-[2-(4-propylphenoxy)ethyl]quinolin-8-amine has a molecular weight of 351.41 g/mol, XLogP of 4.59, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-N-[2-(4-propylphenoxy)ethyl]quinolin-8-amine is sourced from PubChem (CID 2867395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).