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

C16H11N3O3 — CID 137050517

IUPAC2-nitro-4-(quinolin-6-yliminomethyl)phenol
SMILESO=[N+]([O-])c1cc(/C=N/c2ccc3ncccc3c2)ccc1O
InChIInChI=1S/C16H11N3O3/c20-16-6-3-11(8-15(16)19(21)22)10-18-13-4-5-14-12(9-13)2-1-7-17-14/h1-10,20H/b18-10+
InChIKeyWYCBDIAACQOAHX-VCHYOVAHSA-N
MW293.28 g/mol
LogP3.60
Rot. Bonds3

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

2-nitro-4-(quinolin-6-yliminomethyl)phenol (PubChem CID 137050517) has the molecular formula C16H11N3O3 and a molecular weight of 293.28 g/mol. Its IUPAC name is 2-nitro-4-(quinolin-6-yliminomethyl)phenol.

Molecular Properties

Compound Name2-nitro-4-(quinolin-6-yliminomethyl)phenol
PubChem CID137050517
Molecular FormulaC16H11N3O3
Molecular Weight293.28 g/mol
Exact Mass293.08
IUPAC Name2-nitro-4-(quinolin-6-yliminomethyl)phenol
SMILESO=[N+]([O-])c1cc(/C=N/c2ccc3ncccc3c2)ccc1O
InChIInChI=1S/C16H11N3O3/c20-16-6-3-11(8-15(16)19(21)22)10-18-13-4-5-14-12(9-13)2-1-7-17-14/h1-10,20H/b18-10+
InChIKeyWYCBDIAACQOAHX-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

4-[(3,4-dimethylphenyl)iminomethyl]-2-nitrophenol
CID 137171984
4-[(4-methyl-3-nitrophenyl)iminomethyl]-2-nitrophenol
CID 137080578
4-[(3-chloro-4-methylphenyl)iminomethyl]-2-nitrophenol
CID 137100120
4-[[4-(diethylamino)phenyl]iminomethyl]-2-nitrophenol
CID 135581129
4-[(3-methoxyphenyl)iminomethyl]-2-nitrophenol
CID 137080897
2-[4-(quinolin-6-yliminomethyl)phenoxy]acetamide
CID 4272774
N-(4-phenylphenyl)-1-quinolin-6-ylmethanimine
CID 2443754
4-nitro-N-[(E)-quinolin-6-ylmethylideneamino]aniline
CID 51682498
methyl 4-[(4-hydroxy-3-nitrophenyl)methylideneamino]benzoate
CID 137171985
N-naphthalen-2-yl-1-(3-nitro-4-propan-2-ylphenyl)methanimine
CID 23967284
N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-N'-phenylpyridine-2-carboximidamide
CID 135683256
1-(4-chloro-3-nitrophenyl)-N-(3,4-dichlorophenyl)methanimine
CID 757863

Frequently Asked Questions

What is the IUPAC name of 2-nitro-4-(quinolin-6-yliminomethyl)phenol?
The IUPAC name of 2-nitro-4-(quinolin-6-yliminomethyl)phenol (CID 137050517) is 2-nitro-4-(quinolin-6-yliminomethyl)phenol.
What is the SMILES notation for 2-nitro-4-(quinolin-6-yliminomethyl)phenol?
The canonical SMILES for 2-nitro-4-(quinolin-6-yliminomethyl)phenol is O=[N+]([O-])c1cc(/C=N/c2ccc3ncccc3c2)ccc1O.
What is the InChIKey of 2-nitro-4-(quinolin-6-yliminomethyl)phenol?
The InChIKey is WYCBDIAACQOAHX-VCHYOVAHSA-N. The full InChI is InChI=1S/C16H11N3O3/c20-16-6-3-11(8-15(16)19(21)22)10-18-13-4-5-14-12(9-13)2-1-7-17-14/h1-10,20H/b18-10+.
What are the key properties of 2-nitro-4-(quinolin-6-yliminomethyl)phenol?
2-nitro-4-(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 2-nitro-4-(quinolin-6-yliminomethyl)phenol is sourced from PubChem (CID 137050517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).