4-nitro-2-(quinolin-5-yliminomethyl)phenol

C16H11N3O3 — CID 5166286

IUPAC4-nitro-2-(quinolin-5-yliminomethyl)phenol
SMILESO=[N+]([O-])c1ccc(O)c(/C=N/c2cccc3ncccc23)c1
InChIInChI=1S/C16H11N3O3/c20-16-7-6-12(19(21)22)9-11(16)10-18-15-5-1-4-14-13(15)3-2-8-17-14/h1-10,20H/b18-10+
InChIKeyZTJJRSBYMLJRGS-VCHYOVAHSA-N
MW293.28 g/mol
LogP3.60
Rot. Bonds3

About 4-nitro-2-(quinolin-5-yliminomethyl)phenol

4-nitro-2-(quinolin-5-yliminomethyl)phenol (PubChem CID 5166286) has the molecular formula C16H11N3O3 and a molecular weight of 293.28 g/mol. Its IUPAC name is 4-nitro-2-(quinolin-5-yliminomethyl)phenol.

Molecular Properties

Compound Name4-nitro-2-(quinolin-5-yliminomethyl)phenol
PubChem CID5166286
Molecular FormulaC16H11N3O3
Molecular Weight293.28 g/mol
Exact Mass293.08
IUPAC Name4-nitro-2-(quinolin-5-yliminomethyl)phenol
SMILESO=[N+]([O-])c1ccc(O)c(/C=N/c2cccc3ncccc23)c1
InChIInChI=1S/C16H11N3O3/c20-16-7-6-12(19(21)22)9-11(16)10-18-15-5-1-4-14-13(15)3-2-8-17-14/h1-10,20H/b18-10+
InChIKeyZTJJRSBYMLJRGS-VCHYOVAHSA-N
XLogP3.60
TPSA88.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.28
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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

Nitroxoline
CID 19910
5-Nitroso-8-quinolinol
CID 19103
5-(Phenylazo)-8-hydroxyquinoline
CID 199506
5,7-Dinitro-8-quinolinol
CID 245295
8-Nitroquinolin-5-ol
CID 5297354
7-Nitro-8-quinolinol
CID 205688
8-Quinolinol, 5-nitro-7-(1-piperidinylmethyl)-
CID 150799
8-Quinolinol, 5-nitro-7-(1-pyrrolidinylmethyl)-
CID 150800
8-Quinolinol, 7-((4-methyl-1-piperazinyl)methyl)-5-nitro-
CID 150803
7-[(8-Hydroxy-5-nitro-quinolin-7-yl)methyl]-5-nitro-quinolin-8-ol
CID 279605
5-Nitro-7-[(4-phenyl-1-piperazinyl)methyl]-8-quinolinol
CID 1251267
8-Quinolinol, 7-(4-morpholinylmethyl)-5-nitro-
CID 150798

Frequently Asked Questions

What is the IUPAC name of 4-nitro-2-(quinolin-5-yliminomethyl)phenol?
The IUPAC name of 4-nitro-2-(quinolin-5-yliminomethyl)phenol (CID 5166286) is 4-nitro-2-(quinolin-5-yliminomethyl)phenol.
What is the SMILES notation for 4-nitro-2-(quinolin-5-yliminomethyl)phenol?
The canonical SMILES for 4-nitro-2-(quinolin-5-yliminomethyl)phenol is O=[N+]([O-])c1ccc(O)c(/C=N/c2cccc3ncccc23)c1.
What is the InChIKey of 4-nitro-2-(quinolin-5-yliminomethyl)phenol?
The InChIKey is ZTJJRSBYMLJRGS-VCHYOVAHSA-N. The full InChI is InChI=1S/C16H11N3O3/c20-16-7-6-12(19(21)22)9-11(16)10-18-15-5-1-4-14-13(15)3-2-8-17-14/h1-10,20H/b18-10+.
What are the key properties of 4-nitro-2-(quinolin-5-yliminomethyl)phenol?
4-nitro-2-(quinolin-5-yliminomethyl)phenol has a molecular weight of 293.28 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-2-(quinolin-5-yliminomethyl)phenol is sourced from PubChem (CID 5166286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).