5-chloro-7-(chloromethyl)quinolin-8-ol

C10H7Cl2NO — CID 4702114

IUPAC5-chloro-7-(chloromethyl)quinolin-8-ol
SMILESOc1c(CCl)cc(Cl)c2cccnc12
InChIInChI=1S/C10H7Cl2NO/c11-5-6-4-8(12)7-2-1-3-13-9(7)10(6)14/h1-4,14H,5H2
InChIKeyRFGAZBPJXJJSBT-UHFFFAOYSA-N
MW228.08 g/mol
LogP3.33
Rot. Bonds1

About 5-chloro-7-(chloromethyl)quinolin-8-ol

5-chloro-7-(chloromethyl)quinolin-8-ol (PubChem CID 4702114) has the molecular formula C10H7Cl2NO and a molecular weight of 228.08 g/mol. Its IUPAC name is 5-chloro-7-(chloromethyl)quinolin-8-ol.

Molecular Properties

Compound Name5-chloro-7-(chloromethyl)quinolin-8-ol
PubChem CID4702114
Molecular FormulaC10H7Cl2NO
Molecular Weight228.08 g/mol
Exact Mass226.99
IUPAC Name5-chloro-7-(chloromethyl)quinolin-8-ol
SMILESOc1c(CCl)cc(Cl)c2cccnc12
InChIInChI=1S/C10H7Cl2NO/c11-5-6-4-8(12)7-2-1-3-13-9(7)10(6)14/h1-4,14H,5H2
InChIKeyRFGAZBPJXJJSBT-UHFFFAOYSA-N
XLogP3.33
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.08
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5,7-dichloroquinolin-8-ol;nickel
CID 175096460
5-chloro-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol
CID 716609
zinc 5-chloro-7-(18F)fluoroquinolin-8-ol
CID 10378005
bis(5-chloro-7-iodoquinolin-8-ol);indium-111(3+)
CID 25009411
bis(5-chloro-7-iodoquinolin-8-ol);gallium-67(3+)
CID 25009413
5-chloro-7-[(4-methylpiperazin-1-yl)methyl]quinolin-8-ol;dihydrochloride
CID 131888000
5-chloro-7-[[(2-fluorophenyl)methylamino]methyl]quinolin-8-ol;hydrochloride
CID 138620659
3-chloro-1-(5-chloro-8-hydroxyquinolin-7-yl)propane-1,2-diol
CID 171863193
5-chloro-8-hydroxyquinoline-7-carboxylic acid
CID 14534767
(5-chloro-8-hydroxyquinolin-7-yl)-trimethylazanium
CID 87200187
5-chloro-7-pentan-3-ylquinolin-8-ol
CID 91402893
7-[[4-[(5-chloro-8-hydroxyquinolin-7-yl)methyl]-2,5-dimethylpiperazin-1-yl]methyl]-5-methylquinolin-8-ol
CID 157165811

Frequently Asked Questions

What is the IUPAC name of 5-chloro-7-(chloromethyl)quinolin-8-ol?
The IUPAC name of 5-chloro-7-(chloromethyl)quinolin-8-ol (CID 4702114) is 5-chloro-7-(chloromethyl)quinolin-8-ol.
What is the SMILES notation for 5-chloro-7-(chloromethyl)quinolin-8-ol?
The canonical SMILES for 5-chloro-7-(chloromethyl)quinolin-8-ol is Oc1c(CCl)cc(Cl)c2cccnc12.
What is the InChIKey of 5-chloro-7-(chloromethyl)quinolin-8-ol?
The InChIKey is RFGAZBPJXJJSBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2NO/c11-5-6-4-8(12)7-2-1-3-13-9(7)10(6)14/h1-4,14H,5H2.
What are the key properties of 5-chloro-7-(chloromethyl)quinolin-8-ol?
5-chloro-7-(chloromethyl)quinolin-8-ol has a molecular weight of 228.08 g/mol, XLogP of 3.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-(chloromethyl)quinolin-8-ol is sourced from PubChem (CID 4702114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).