4-nitro-2-(quinolin-6-yliminomethyl)phenol

C16H11N3O3 — CID 3841915

IUPAC4-nitro-2-(quinolin-6-yliminomethyl)phenol
SMILESO=[N+]([O-])c1ccc(O)c(/C=N/c2ccc3ncccc3c2)c1
InChIInChI=1S/C16H11N3O3/c20-16-6-4-14(19(21)22)9-12(16)10-18-13-3-5-15-11(8-13)2-1-7-17-15/h1-10,20H/b18-10+
InChIKeyFUONIBGOHUAYPQ-VCHYOVAHSA-N
MW293.28 g/mol
LogP3.60
Rot. Bonds3

About 4-nitro-2-(quinolin-6-yliminomethyl)phenol

4-nitro-2-(quinolin-6-yliminomethyl)phenol (PubChem CID 3841915) has the molecular formula C16H11N3O3 and a molecular weight of 293.28 g/mol. Its IUPAC name is 4-nitro-2-(quinolin-6-yliminomethyl)phenol.

Molecular Properties

Compound Name4-nitro-2-(quinolin-6-yliminomethyl)phenol
PubChem CID3841915
Molecular FormulaC16H11N3O3
Molecular Weight293.28 g/mol
Exact Mass293.08
IUPAC Name4-nitro-2-(quinolin-6-yliminomethyl)phenol
SMILESO=[N+]([O-])c1ccc(O)c(/C=N/c2ccc3ncccc3c2)c1
InChIInChI=1S/C16H11N3O3/c20-16-6-4-14(19(21)22)9-12(16)10-18-13-3-5-15-11(8-13)2-1-7-17-15/h1-10,20H/b18-10+
InChIKeyFUONIBGOHUAYPQ-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
6-Hydroxyquinoline
CID 11374
Mls002637543
CID 219563
6-Nitroquinolin-8-ol
CID 605332
2-[(Quinolin-8-ylamino)methyl]phenol
CID 890662
Phenol, p-[2-(4-quinolyl)vinyl]-
CID 741423
8-Nitroquinolin-5-ol
CID 5297354
4-Quinolin-3-ylphenol
CID 11746183
4-[(E)-2-(2-hydroxyphenyl)vinyl]-1-methylquinolinium
CID 16194418
1-Ethyl-2-[2-(2-hydroxy-5-nitro-phenyl)-vinyl]-quinolinium
CID 24746867
4-[3-[(3R,4R)-3-ethyl-1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]propyl]quinolin-6-ol
CID 44534572
2-[[3-[(7-Methylquinolin-4-yl)amino]propyl-propylamino]methyl]-6-nitrophenol
CID 46878351

Frequently Asked Questions

What is the IUPAC name of 4-nitro-2-(quinolin-6-yliminomethyl)phenol?
The IUPAC name of 4-nitro-2-(quinolin-6-yliminomethyl)phenol (CID 3841915) is 4-nitro-2-(quinolin-6-yliminomethyl)phenol.
What is the SMILES notation for 4-nitro-2-(quinolin-6-yliminomethyl)phenol?
The canonical SMILES for 4-nitro-2-(quinolin-6-yliminomethyl)phenol is O=[N+]([O-])c1ccc(O)c(/C=N/c2ccc3ncccc3c2)c1.
What is the InChIKey of 4-nitro-2-(quinolin-6-yliminomethyl)phenol?
The InChIKey is FUONIBGOHUAYPQ-VCHYOVAHSA-N. The full InChI is InChI=1S/C16H11N3O3/c20-16-6-4-14(19(21)22)9-12(16)10-18-13-3-5-15-11(8-13)2-1-7-17-15/h1-10,20H/b18-10+.
What are the key properties of 4-nitro-2-(quinolin-6-yliminomethyl)phenol?
4-nitro-2-(quinolin-6-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-6-yliminomethyl)phenol is sourced from PubChem (CID 3841915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).