2-[(5-chloroquinolin-8-yl)iminomethyl]-6-nitrophenol

C16H10ClN3O3 — CID 779324

IUPAC2-[(5-chloroquinolin-8-yl)iminomethyl]-6-nitrophenol
SMILESO=[N+]([O-])c1cccc(/C=N/c2ccc(Cl)c3cccnc23)c1O
InChIInChI=1S/C16H10ClN3O3/c17-12-6-7-13(15-11(12)4-2-8-18-15)19-9-10-3-1-5-14(16(10)21)20(22)23/h1-9,21H/b19-9+
InChIKeyWWWOQYZKSPGVBF-DJKKODMXSA-N
MW327.73 g/mol
LogP4.25
Rot. Bonds3

About 2-[(5-chloroquinolin-8-yl)iminomethyl]-6-nitrophenol

2-[(5-chloroquinolin-8-yl)iminomethyl]-6-nitrophenol (PubChem CID 779324) has the molecular formula C16H10ClN3O3 and a molecular weight of 327.73 g/mol. Its IUPAC name is 2-[(5-chloroquinolin-8-yl)iminomethyl]-6-nitrophenol.

Molecular Properties

Compound Name2-[(5-chloroquinolin-8-yl)iminomethyl]-6-nitrophenol
PubChem CID779324
Molecular FormulaC16H10ClN3O3
Molecular Weight327.73 g/mol
Exact Mass327.04
IUPAC Name2-[(5-chloroquinolin-8-yl)iminomethyl]-6-nitrophenol
SMILESO=[N+]([O-])c1cccc(/C=N/c2ccc(Cl)c3cccnc23)c1O
InChIInChI=1S/C16H10ClN3O3/c17-12-6-7-13(15-11(12)4-2-8-18-15)19-9-10-3-1-5-14(16(10)21)20(22)23/h1-9,21H/b19-9+
InChIKeyWWWOQYZKSPGVBF-DJKKODMXSA-N
XLogP4.25
TPSA88.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.73
LogP ≤ 54.25
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-chloro-3-[(2-hydroxy-3-nitrophenyl)methylideneamino]benzoic acid
CID 137027268
2-nitro-6-[(E)-1H-1,2,4-triazol-5-yliminomethyl]phenol
CID 135615334
2-nitro-6-[(4-nitrophenyl)iminomethyl]phenol
CID 5159990
4-tert-butyl-2-chloro-6-[(2-hydroxy-3-nitrophenyl)methylideneamino]phenolate
CID 135682524
2-nitro-6-[(quinolin-8-ylhydrazinylidene)methyl]phenol
CID 5006377
2-[(2,4-dimethylphenyl)iminomethyl]-6-nitrophenol
CID 137173262
2-(methyliminomethyl)-6-nitrophenol
CID 4779353
4-chloro-2-nitro-6-(quinolin-8-yliminomethyl)phenolate
CID 7034126
N-[(2-hydroxy-3-nitrophenyl)methylideneamino]pyridine-2-carboxamide
CID 3707808
3-[[4-[(2,3-dihydroxyphenyl)methylideneamino]-3-nitrophenyl]iminomethyl]benzene-1,2-diol
CID 3111549
4-chloro-2-[(2,3-dichlorophenyl)iminomethyl]-6-nitrophenol
CID 4090365
2-[(4-ethoxyphenyl)iminomethyl]-6-nitrophenol
CID 3429052

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloroquinolin-8-yl)iminomethyl]-6-nitrophenol?
The IUPAC name of 2-[(5-chloroquinolin-8-yl)iminomethyl]-6-nitrophenol (CID 779324) is 2-[(5-chloroquinolin-8-yl)iminomethyl]-6-nitrophenol.
What is the SMILES notation for 2-[(5-chloroquinolin-8-yl)iminomethyl]-6-nitrophenol?
The canonical SMILES for 2-[(5-chloroquinolin-8-yl)iminomethyl]-6-nitrophenol is O=[N+]([O-])c1cccc(/C=N/c2ccc(Cl)c3cccnc23)c1O.
What is the InChIKey of 2-[(5-chloroquinolin-8-yl)iminomethyl]-6-nitrophenol?
The InChIKey is WWWOQYZKSPGVBF-DJKKODMXSA-N. The full InChI is InChI=1S/C16H10ClN3O3/c17-12-6-7-13(15-11(12)4-2-8-18-15)19-9-10-3-1-5-14(16(10)21)20(22)23/h1-9,21H/b19-9+.
What are the key properties of 2-[(5-chloroquinolin-8-yl)iminomethyl]-6-nitrophenol?
2-[(5-chloroquinolin-8-yl)iminomethyl]-6-nitrophenol has a molecular weight of 327.73 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloroquinolin-8-yl)iminomethyl]-6-nitrophenol is sourced from PubChem (CID 779324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).