N-[2-(5-nitroquinolin-8-yl)oxyethyl]propan-1-amine

C14H17N3O3 — CID 60863686

IUPACN-[2-(5-nitroquinolin-8-yl)oxyethyl]propan-1-amine
SMILESCCCNCCOc1ccc([N+](=O)[O-])c2cccnc12
InChIInChI=1S/C14H17N3O3/c1-2-7-15-9-10-20-13-6-5-12(17(18)19)11-4-3-8-16-14(11)13/h3-6,8,15H,2,7,9-10H2,1H3
InChIKeyVURNPMHQXJSXIH-UHFFFAOYSA-N
MW275.31 g/mol
LogP2.52
Rot. Bonds7

About N-[2-(5-nitroquinolin-8-yl)oxyethyl]propan-1-amine

N-[2-(5-nitroquinolin-8-yl)oxyethyl]propan-1-amine (PubChem CID 60863686) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is N-[2-(5-nitroquinolin-8-yl)oxyethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(5-nitroquinolin-8-yl)oxyethyl]propan-1-amine
PubChem CID60863686
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC NameN-[2-(5-nitroquinolin-8-yl)oxyethyl]propan-1-amine
SMILESCCCNCCOc1ccc([N+](=O)[O-])c2cccnc12
InChIInChI=1S/C14H17N3O3/c1-2-7-15-9-10-20-13-6-5-12(17(18)19)11-4-3-8-16-14(11)13/h3-6,8,15H,2,7,9-10H2,1H3
InChIKeyVURNPMHQXJSXIH-UHFFFAOYSA-N
XLogP2.52
TPSA77.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 52.52
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

8-(2-chloroethoxy)-5-nitroquinoline
CID 60863321
ethyl 3-(5-nitroquinolin-8-yl)oxypropanoate
CID 60865673
5-nitro-N-[2-(propylamino)ethyl]quinoline-8-sulfonamide
CID 120715909
(5-nitroquinolin-8-yl) N,N-diethylcarbamate
CID 175460748
8-methoxy-5-nitroquinoline;nitric acid
CID 17380294
N-[2-(2-methylphenoxy)ethyl]-5-nitroquinolin-8-amine
CID 3119297
tris[(5-nitroquinolin-8-yl)oxymethyl] phosphate
CID 166679929
N-ethyl-3-(4-nitronaphthalen-1-yl)oxypropan-1-amine
CID 63691870
methyl (5-nitroquinolin-8-yl) hydrogen phosphate
CID 146455565
3-(8-nitroquinolin-5-yl)-N-propylbutan-2-amine
CID 63199376
1-O-methyl 6-O-[(5-nitroquinolin-8-yl)oxymethyl] hexanedioate
CID 149115733
5-nitro-N-[2-(4-propylphenoxy)ethyl]quinolin-8-amine
CID 2867395

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-nitroquinolin-8-yl)oxyethyl]propan-1-amine?
The IUPAC name of N-[2-(5-nitroquinolin-8-yl)oxyethyl]propan-1-amine (CID 60863686) is N-[2-(5-nitroquinolin-8-yl)oxyethyl]propan-1-amine.
What is the SMILES notation for N-[2-(5-nitroquinolin-8-yl)oxyethyl]propan-1-amine?
The canonical SMILES for N-[2-(5-nitroquinolin-8-yl)oxyethyl]propan-1-amine is CCCNCCOc1ccc([N+](=O)[O-])c2cccnc12.
What is the InChIKey of N-[2-(5-nitroquinolin-8-yl)oxyethyl]propan-1-amine?
The InChIKey is VURNPMHQXJSXIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-2-7-15-9-10-20-13-6-5-12(17(18)19)11-4-3-8-16-14(11)13/h3-6,8,15H,2,7,9-10H2,1H3.
What are the key properties of N-[2-(5-nitroquinolin-8-yl)oxyethyl]propan-1-amine?
N-[2-(5-nitroquinolin-8-yl)oxyethyl]propan-1-amine has a molecular weight of 275.31 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-nitroquinolin-8-yl)oxyethyl]propan-1-amine is sourced from PubChem (CID 60863686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).