4-[(E)-[(7-chloroquinolin-4-yl)hydrazinylidene]methyl]-2-methoxyphenol

C17H14ClN3O2 — CID 135515651

IUPAC4-[(E)-[(7-chloroquinolin-4-yl)hydrazinylidene]methyl]-2-methoxyphenol
SMILESCOc1cc(/C=N/Nc2ccnc3cc(Cl)ccc23)ccc1O
InChIInChI=1S/C17H14ClN3O2/c1-23-17-8-11(2-5-16(17)22)10-20-21-14-6-7-19-15-9-12(18)3-4-13(14)15/h2-10,22H,1H3,(H,19,21)/b20-10+
InChIKeyDVHZBLUWFREWQV-KEBDBYFISA-N
MW327.77 g/mol
LogP4.05
Rot. Bonds4

About 4-[(E)-[(7-chloroquinolin-4-yl)hydrazinylidene]methyl]-2-methoxyphenol

4-[(E)-[(7-chloroquinolin-4-yl)hydrazinylidene]methyl]-2-methoxyphenol (PubChem CID 135515651) has the molecular formula C17H14ClN3O2 and a molecular weight of 327.77 g/mol. Its IUPAC name is 4-[(E)-[(7-chloroquinolin-4-yl)hydrazinylidene]methyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[(E)-[(7-chloroquinolin-4-yl)hydrazinylidene]methyl]-2-methoxyphenol
PubChem CID135515651
Molecular FormulaC17H14ClN3O2
Molecular Weight327.77 g/mol
Exact Mass327.08
IUPAC Name4-[(E)-[(7-chloroquinolin-4-yl)hydrazinylidene]methyl]-2-methoxyphenol
SMILESCOc1cc(/C=N/Nc2ccnc3cc(Cl)ccc23)ccc1O
InChIInChI=1S/C17H14ClN3O2/c1-23-17-8-11(2-5-16(17)22)10-20-21-14-6-7-19-15-9-12(18)3-4-13(14)15/h2-10,22H,1H3,(H,19,21)/b20-10+
InChIKeyDVHZBLUWFREWQV-KEBDBYFISA-N
XLogP4.05
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.77
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[(E)-N-[(7-chloroquinolin-4-yl)amino]-C-ethylcarbonimidoyl]phenol
CID 135676152
7-chloro-N-(4-methoxyphenyl)quinolin-4-amine
CID 23275458
6-Chloro-N-(3,4-dimethoxybenzyl)-1,2,3,4-tetrahydroacridin-9-amine (9e)
CID 122199179
6-Chloro-N-(3,4-dimethoxyphenethyl)-1,2,3,4-tetrahydroacridin-9-amine (11b)
CID 122199184
4-[(3-Chloro-4-hydroxyphenyl)amino]-6,7-dimethoxyquinoline-3-carbonitrile
CID 5328857
2-[[4-[(7-Chloroquinolin-4-yl)amino]butyl-propylamino]methyl]-6-methoxyphenol
CID 11846963
2-[[3-[(7-Chloroquinolin-4-yl)amino]propyl-propylamino]methyl]-4-methoxyphenol
CID 11847272
2-Hydroxy-3-methoxybenzaldehyde (3,5-dichloropyridin-4-yl)hydrazone
CID 135607573
4-[(E)-[(7-chloroquinolin-4-yl)hydrazinylidene]methyl]benzene-1,2,3-triol
CID 135676232
7-chloro-N-[(2-methoxynaphthalen-1-yl)methylideneamino]quinolin-4-amine
CID 460005
7-chloro-N-[(4-methoxyphenyl)methylideneamino]quinolin-4-amine
CID 4008612
7-chloro-4-[(2E)-2-(4-methoxybenzylidene)hydrazinyl]quinoline
CID 9643000

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-[(7-chloroquinolin-4-yl)hydrazinylidene]methyl]-2-methoxyphenol?
The IUPAC name of 4-[(E)-[(7-chloroquinolin-4-yl)hydrazinylidene]methyl]-2-methoxyphenol (CID 135515651) is 4-[(E)-[(7-chloroquinolin-4-yl)hydrazinylidene]methyl]-2-methoxyphenol.
What is the SMILES notation for 4-[(E)-[(7-chloroquinolin-4-yl)hydrazinylidene]methyl]-2-methoxyphenol?
The canonical SMILES for 4-[(E)-[(7-chloroquinolin-4-yl)hydrazinylidene]methyl]-2-methoxyphenol is COc1cc(/C=N/Nc2ccnc3cc(Cl)ccc23)ccc1O.
What is the InChIKey of 4-[(E)-[(7-chloroquinolin-4-yl)hydrazinylidene]methyl]-2-methoxyphenol?
The InChIKey is DVHZBLUWFREWQV-KEBDBYFISA-N. The full InChI is InChI=1S/C17H14ClN3O2/c1-23-17-8-11(2-5-16(17)22)10-20-21-14-6-7-19-15-9-12(18)3-4-13(14)15/h2-10,22H,1H3,(H,19,21)/b20-10+.
What are the key properties of 4-[(E)-[(7-chloroquinolin-4-yl)hydrazinylidene]methyl]-2-methoxyphenol?
4-[(E)-[(7-chloroquinolin-4-yl)hydrazinylidene]methyl]-2-methoxyphenol has a molecular weight of 327.77 g/mol, XLogP of 4.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-[(7-chloroquinolin-4-yl)hydrazinylidene]methyl]-2-methoxyphenol is sourced from PubChem (CID 135515651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).