4-chloro-2-[(E)-[(7-chloroquinolin-4-yl)hydrazinylidene]methyl]-6-nitrophenol

C16H10Cl2N4O3 — CID 135608147

IUPAC4-chloro-2-[(E)-[(7-chloroquinolin-4-yl)hydrazinylidene]methyl]-6-nitrophenol
SMILESO=[N+]([O-])c1cc(Cl)cc(/C=N/Nc2ccnc3cc(Cl)ccc23)c1O
InChIInChI=1S/C16H10Cl2N4O3/c17-10-1-2-12-13(3-4-19-14(12)6-10)21-20-8-9-5-11(18)7-15(16(9)23)22(24)25/h1-8,23H,(H,19,21)/b20-8+
InChIKeySRQSADFRBXGPES-DNTJNYDQSA-N
MW377.19 g/mol
LogP4.60
Rot. Bonds4

About 4-chloro-2-[(E)-[(7-chloroquinolin-4-yl)hydrazinylidene]methyl]-6-nitrophenol

4-chloro-2-[(E)-[(7-chloroquinolin-4-yl)hydrazinylidene]methyl]-6-nitrophenol (PubChem CID 135608147) has the molecular formula C16H10Cl2N4O3 and a molecular weight of 377.19 g/mol. Its IUPAC name is 4-chloro-2-[(E)-[(7-chloroquinolin-4-yl)hydrazinylidene]methyl]-6-nitrophenol.

Molecular Properties

Compound Name4-chloro-2-[(E)-[(7-chloroquinolin-4-yl)hydrazinylidene]methyl]-6-nitrophenol
PubChem CID135608147
Molecular FormulaC16H10Cl2N4O3
Molecular Weight377.19 g/mol
Exact Mass376.01
IUPAC Name4-chloro-2-[(E)-[(7-chloroquinolin-4-yl)hydrazinylidene]methyl]-6-nitrophenol
SMILESO=[N+]([O-])c1cc(Cl)cc(/C=N/Nc2ccnc3cc(Cl)ccc23)c1O
InChIInChI=1S/C16H10Cl2N4O3/c17-10-1-2-12-13(3-4-19-14(12)6-10)21-20-8-9-5-11(18)7-15(16(9)23)22(24)25/h1-8,23H,(H,19,21)/b20-8+
InChIKeySRQSADFRBXGPES-DNTJNYDQSA-N
XLogP4.60
TPSA100.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.19
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'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

7-chloro-N-[(E)-(4-nitrophenyl)methylideneamino]quinolin-4-amine
CID 45487017
4-chloro-2-[(E)-[(4-chlorophenyl)hydrazinylidene]methyl]-6-nitrophenol;hydrochloride
CID 135760746
4-chloro-2-nitro-6-[(quinolin-8-ylhydrazinylidene)methyl]phenol
CID 3097115
4-chloro-2-nitro-6-[(Z)-(quinolin-8-ylhydrazinylidene)methyl]phenol
CID 135763883
7-chloro-N-[(5-nitrofuran-2-yl)methylideneamino]quinolin-4-amine
CID 4083692
4-chloro-2-[(E)-[(3-chlorophenyl)hydrazinylidene]methyl]-6-nitrophenol
CID 135615920
4-chloro-2-nitro-6-[(phenylhydrazinylidene)methyl]phenol
CID 4071998
4-chloro-2-[[(4-methylphenyl)hydrazinylidene]methyl]-6-nitrophenol
CID 4195262
4-chloro-2-nitro-6-[[[2-nitro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol
CID 3298245
2-[[(7-chloroquinolin-4-yl)hydrazinylidene]methyl]-5-(diethylamino)phenol
CID 5113513
2,4-dichloro-6-[[(2-nitrophenyl)hydrazinylidene]methyl]phenol
CID 3698846
2,4-dichloro-6-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]phenol
CID 5173716

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(E)-[(7-chloroquinolin-4-yl)hydrazinylidene]methyl]-6-nitrophenol?
The IUPAC name of 4-chloro-2-[(E)-[(7-chloroquinolin-4-yl)hydrazinylidene]methyl]-6-nitrophenol (CID 135608147) is 4-chloro-2-[(E)-[(7-chloroquinolin-4-yl)hydrazinylidene]methyl]-6-nitrophenol.
What is the SMILES notation for 4-chloro-2-[(E)-[(7-chloroquinolin-4-yl)hydrazinylidene]methyl]-6-nitrophenol?
The canonical SMILES for 4-chloro-2-[(E)-[(7-chloroquinolin-4-yl)hydrazinylidene]methyl]-6-nitrophenol is O=[N+]([O-])c1cc(Cl)cc(/C=N/Nc2ccnc3cc(Cl)ccc23)c1O.
What is the InChIKey of 4-chloro-2-[(E)-[(7-chloroquinolin-4-yl)hydrazinylidene]methyl]-6-nitrophenol?
The InChIKey is SRQSADFRBXGPES-DNTJNYDQSA-N. The full InChI is InChI=1S/C16H10Cl2N4O3/c17-10-1-2-12-13(3-4-19-14(12)6-10)21-20-8-9-5-11(18)7-15(16(9)23)22(24)25/h1-8,23H,(H,19,21)/b20-8+.
What are the key properties of 4-chloro-2-[(E)-[(7-chloroquinolin-4-yl)hydrazinylidene]methyl]-6-nitrophenol?
4-chloro-2-[(E)-[(7-chloroquinolin-4-yl)hydrazinylidene]methyl]-6-nitrophenol has a molecular weight of 377.19 g/mol, XLogP of 4.60, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(E)-[(7-chloroquinolin-4-yl)hydrazinylidene]methyl]-6-nitrophenol is sourced from PubChem (CID 135608147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).