5-chloro-6-(2,6-dichlorophenyl)-8-methoxyquinoline

C16H10Cl3NO — CID 173144918

IUPAC5-chloro-6-(2,6-dichlorophenyl)-8-methoxyquinoline
SMILESCOc1cc(-c2c(Cl)cccc2Cl)c(Cl)c2cccnc12
InChIInChI=1S/C16H10Cl3NO/c1-21-13-8-10(14-11(17)5-2-6-12(14)18)15(19)9-4-3-7-20-16(9)13/h2-8H,1H3
InChIKeyWPPOXDRRNXUZOC-UHFFFAOYSA-N
MW338.62 g/mol
LogP5.87
Rot. Bonds2

About 5-chloro-6-(2,6-dichlorophenyl)-8-methoxyquinoline

5-chloro-6-(2,6-dichlorophenyl)-8-methoxyquinoline (PubChem CID 173144918) has the molecular formula C16H10Cl3NO and a molecular weight of 338.62 g/mol. Its IUPAC name is 5-chloro-6-(2,6-dichlorophenyl)-8-methoxyquinoline.

Molecular Properties

Compound Name5-chloro-6-(2,6-dichlorophenyl)-8-methoxyquinoline
PubChem CID173144918
Molecular FormulaC16H10Cl3NO
Molecular Weight338.62 g/mol
Exact Mass336.98
IUPAC Name5-chloro-6-(2,6-dichlorophenyl)-8-methoxyquinoline
SMILESCOc1cc(-c2c(Cl)cccc2Cl)c(Cl)c2cccnc12
InChIInChI=1S/C16H10Cl3NO/c1-21-13-8-10(14-11(17)5-2-6-12(14)18)15(19)9-4-3-7-20-16(9)13/h2-8H,1H3
InChIKeyWPPOXDRRNXUZOC-UHFFFAOYSA-N
XLogP5.87
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.62
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-dichlorophenyl)-3-methoxypyridine
CID 90122655
1,3-dichloro-2-(2,3-dimethoxyphenyl)benzene
CID 16755069
5-(2,6-dichloro-3,5-dimethoxyphenyl)quinoline-8-carboxylic acid;sulfuryl dichloride
CID 87202475
8-methoxy-N,N-dimethylquinolin-5-amine
CID 67991214
5-methoxy-1,7-phenanthroline
CID 67576947
7-bromo-5-chloro-8-methoxyquinoline
CID 58763008
zinc bis(5-chloro-7-iodo-8-(111C)methoxyquinoline)
CID 10462414
8-(2,3-dichlorophenoxy)quinolin-5-amine
CID 43450313
8-chloro-N-(2-methoxyphenyl)quinolin-4-amine
CID 43833261
11,12-dimethoxyquinoxalino[2,3-f][1,10]phenanthroline;bis(1,10-phenanthroline);ruthenium(2+)
CID 139247806
1-chloro-9-methoxyphenanthrene
CID 174558891
6-ethyl-8-methoxyquinoline
CID 137438692

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(2,6-dichlorophenyl)-8-methoxyquinoline?
The IUPAC name of 5-chloro-6-(2,6-dichlorophenyl)-8-methoxyquinoline (CID 173144918) is 5-chloro-6-(2,6-dichlorophenyl)-8-methoxyquinoline.
What is the SMILES notation for 5-chloro-6-(2,6-dichlorophenyl)-8-methoxyquinoline?
The canonical SMILES for 5-chloro-6-(2,6-dichlorophenyl)-8-methoxyquinoline is COc1cc(-c2c(Cl)cccc2Cl)c(Cl)c2cccnc12.
What is the InChIKey of 5-chloro-6-(2,6-dichlorophenyl)-8-methoxyquinoline?
The InChIKey is WPPOXDRRNXUZOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl3NO/c1-21-13-8-10(14-11(17)5-2-6-12(14)18)15(19)9-4-3-7-20-16(9)13/h2-8H,1H3.
What are the key properties of 5-chloro-6-(2,6-dichlorophenyl)-8-methoxyquinoline?
5-chloro-6-(2,6-dichlorophenyl)-8-methoxyquinoline has a molecular weight of 338.62 g/mol, XLogP of 5.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(2,6-dichlorophenyl)-8-methoxyquinoline is sourced from PubChem (CID 173144918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).