8-(2,4-dinitrophenoxy)quinoline

C15H9N3O5 — CID 1422298

IUPAC8-(2,4-dinitrophenoxy)quinoline
SMILESO=[N+]([O-])c1ccc(Oc2cccc3cccnc23)c([N+](=O)[O-])c1
InChIInChI=1S/C15H9N3O5/c19-17(20)11-6-7-13(12(9-11)18(21)22)23-14-5-1-3-10-4-2-8-16-15(10)14/h1-9H
InChIKeyKLYAJBVSMYMPQE-UHFFFAOYSA-N
MW311.25 g/mol
LogP3.84
Rot. Bonds4

About 8-(2,4-dinitrophenoxy)quinoline

8-(2,4-dinitrophenoxy)quinoline (PubChem CID 1422298) has the molecular formula C15H9N3O5 and a molecular weight of 311.25 g/mol. Its IUPAC name is 8-(2,4-dinitrophenoxy)quinoline.

Molecular Properties

Compound Name8-(2,4-dinitrophenoxy)quinoline
PubChem CID1422298
Molecular FormulaC15H9N3O5
Molecular Weight311.25 g/mol
Exact Mass311.05
IUPAC Name8-(2,4-dinitrophenoxy)quinoline
SMILESO=[N+]([O-])c1ccc(Oc2cccc3cccnc23)c([N+](=O)[O-])c1
InChIInChI=1S/C15H9N3O5/c19-17(20)11-6-7-13(12(9-11)18(21)22)23-14-5-1-3-10-4-2-8-16-15(10)14/h1-9H
InChIKeyKLYAJBVSMYMPQE-UHFFFAOYSA-N
XLogP3.84
TPSA108.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.25
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

quinolin-8-yl 2,5-dinitrobenzoate
CID 3124826
6,8-dinitroquinoline
CID 11106850
3-(2,4-dinitrophenoxy)benzene-1,2-diol
CID 174671523
3-nitro-5-quinolin-8-yloxyaniline
CID 80874690
quinolin-8-yl 2-(2,4-dinitrophenyl)sulfinylacetate
CID 5261830
8-[(6-chloro-3-nitro-2-pyridinyl)oxy]quinoline
CID 61057607
1-(2-fluorophenoxy)-2,4-dinitrobenzene
CID 9212888
8-(5-nitro-6-quinolin-8-yloxypyrimidin-4-yl)oxyquinoline
CID 23493774
quinolin-8-yl 2-methyl-4-nitrobenzenesulfonate
CID 37476858
1,4-bis(2,4-dinitrophenoxy)-2,3-dimethylbenzene
CID 141163009
2-chloro-3-(4-chloro-2-nitrophenoxy)pyridine
CID 12569050
quinolin-8-yl N-(2-chloro-4-nitrophenyl)carbamate
CID 3325458

Frequently Asked Questions

What is the IUPAC name of 8-(2,4-dinitrophenoxy)quinoline?
The IUPAC name of 8-(2,4-dinitrophenoxy)quinoline (CID 1422298) is 8-(2,4-dinitrophenoxy)quinoline.
What is the SMILES notation for 8-(2,4-dinitrophenoxy)quinoline?
The canonical SMILES for 8-(2,4-dinitrophenoxy)quinoline is O=[N+]([O-])c1ccc(Oc2cccc3cccnc23)c([N+](=O)[O-])c1.
What is the InChIKey of 8-(2,4-dinitrophenoxy)quinoline?
The InChIKey is KLYAJBVSMYMPQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9N3O5/c19-17(20)11-6-7-13(12(9-11)18(21)22)23-14-5-1-3-10-4-2-8-16-15(10)14/h1-9H.
What are the key properties of 8-(2,4-dinitrophenoxy)quinoline?
8-(2,4-dinitrophenoxy)quinoline has a molecular weight of 311.25 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,4-dinitrophenoxy)quinoline is sourced from PubChem (CID 1422298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).