3-nitro-5-quinolin-8-yloxyaniline

C15H11N3O3 — CID 80874690

IUPAC3-nitro-5-quinolin-8-yloxyaniline
SMILESNc1cc(Oc2cccc3cccnc23)cc([N+](=O)[O-])c1
InChIInChI=1S/C15H11N3O3/c16-11-7-12(18(19)20)9-13(8-11)21-14-5-1-3-10-4-2-6-17-15(10)14/h1-9H,16H2
InChIKeyPDNPKLAIPDRFIA-UHFFFAOYSA-N
MW281.27 g/mol
LogP3.52
Rot. Bonds3

About 3-nitro-5-quinolin-8-yloxyaniline

3-nitro-5-quinolin-8-yloxyaniline (PubChem CID 80874690) has the molecular formula C15H11N3O3 and a molecular weight of 281.27 g/mol. Its IUPAC name is 3-nitro-5-quinolin-8-yloxyaniline.

Molecular Properties

Compound Name3-nitro-5-quinolin-8-yloxyaniline
PubChem CID80874690
Molecular FormulaC15H11N3O3
Molecular Weight281.27 g/mol
Exact Mass281.08
IUPAC Name3-nitro-5-quinolin-8-yloxyaniline
SMILESNc1cc(Oc2cccc3cccnc23)cc([N+](=O)[O-])c1
InChIInChI=1S/C15H11N3O3/c16-11-7-12(18(19)20)9-13(8-11)21-14-5-1-3-10-4-2-6-17-15(10)14/h1-9H,16H2
InChIKeyPDNPKLAIPDRFIA-UHFFFAOYSA-N
XLogP3.52
TPSA91.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', '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-(2,4-dinitrophenoxy)quinoline
CID 1422298
3-(2,6-dimethoxyphenoxy)-5-nitroaniline
CID 80865638
3-(2-ethylphenoxy)-5-nitroaniline
CID 80875741
8-(5-nitro-6-quinolin-8-yloxypyrimidin-4-yl)oxyquinoline
CID 23493774
2-methoxy-4-quinolin-8-yloxyaniline
CID 63678209
6,8-dinitroquinoline
CID 11106850
quinolin-8-yl 2,3-dimethyl-5-nitrobenzenesulfonate
CID 26526896
8-[(2-chloro-4-pyridinyl)oxy]quinoline
CID 63777963
3-(3,4-dichlorophenoxy)-5-nitroaniline
CID 80874924
8-[(6-chloro-3-nitro-2-pyridinyl)oxy]quinoline
CID 61057607
3-(4-iodophenoxy)-5-nitroaniline
CID 5057933
8-(4-methylsulfonylphenoxy)quinoline
CID 11220281

Frequently Asked Questions

What is the IUPAC name of 3-nitro-5-quinolin-8-yloxyaniline?
The IUPAC name of 3-nitro-5-quinolin-8-yloxyaniline (CID 80874690) is 3-nitro-5-quinolin-8-yloxyaniline.
What is the SMILES notation for 3-nitro-5-quinolin-8-yloxyaniline?
The canonical SMILES for 3-nitro-5-quinolin-8-yloxyaniline is Nc1cc(Oc2cccc3cccnc23)cc([N+](=O)[O-])c1.
What is the InChIKey of 3-nitro-5-quinolin-8-yloxyaniline?
The InChIKey is PDNPKLAIPDRFIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O3/c16-11-7-12(18(19)20)9-13(8-11)21-14-5-1-3-10-4-2-6-17-15(10)14/h1-9H,16H2.
What are the key properties of 3-nitro-5-quinolin-8-yloxyaniline?
3-nitro-5-quinolin-8-yloxyaniline has a molecular weight of 281.27 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-5-quinolin-8-yloxyaniline is sourced from PubChem (CID 80874690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).