3,5-dibromo-4-chloro-8-methoxyquinoline

C10H6Br2ClNO — CID 114759895

IUPAC3,5-dibromo-4-chloro-8-methoxyquinoline
SMILESCOc1ccc(Br)c2c(Cl)c(Br)cnc12
InChIInChI=1S/C10H6Br2ClNO/c1-15-7-3-2-5(11)8-9(13)6(12)4-14-10(7)8/h2-4H,1H3
InChIKeyUBJIZRKMOAXQBW-UHFFFAOYSA-N
MW351.43 g/mol
LogP4.42
Rot. Bonds1

About 3,5-dibromo-4-chloro-8-methoxyquinoline

3,5-dibromo-4-chloro-8-methoxyquinoline (PubChem CID 114759895) has the molecular formula C10H6Br2ClNO and a molecular weight of 351.43 g/mol. Its IUPAC name is 3,5-dibromo-4-chloro-8-methoxyquinoline.

Molecular Properties

Compound Name3,5-dibromo-4-chloro-8-methoxyquinoline
PubChem CID114759895
Molecular FormulaC10H6Br2ClNO
Molecular Weight351.43 g/mol
Exact Mass348.85
IUPAC Name3,5-dibromo-4-chloro-8-methoxyquinoline
SMILESCOc1ccc(Br)c2c(Cl)c(Br)cnc12
InChIInChI=1S/C10H6Br2ClNO/c1-15-7-3-2-5(11)8-9(13)6(12)4-14-10(7)8/h2-4H,1H3
InChIKeyUBJIZRKMOAXQBW-UHFFFAOYSA-N
XLogP4.42
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-3-chloro-8-methoxy-5-methylquinoline
CID 114763949
8-bromo-9-chloro-5-methoxy-2,3-dihydro-1H-cyclopenta[b]quinoline
CID 54967603
4-chloro-3-iodo-8-methoxy-5-methylquinoline
CID 102614076
3,8-dibromo-4-chloro-5-fluoroquinoline
CID 107627843
4-chloro-5-fluoro-8-methoxyquinolin-3-amine
CID 157041127
5-bromo-4-chloro-2-ethyl-8-methoxyquinazoline
CID 114591397
3,4-dibromo-7-methoxy-2H-indazole
CID 114589251
5-bromo-3,4-dichloro-8-methylquinoline
CID 114759791
1-bromo-3-chloro-2,4-dimethoxybenzene
CID 53217015
4,5-dichloro-8-methoxyquinoline
CID 43531957
5-bromo-4-chloro-3-iodo-8-methylquinoline
CID 102614183
5-bromo-4-chloro-2-(3-chloro-4-methylthiophen-2-yl)-8-methoxyquinazoline
CID 103400565

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-4-chloro-8-methoxyquinoline?
The IUPAC name of 3,5-dibromo-4-chloro-8-methoxyquinoline (CID 114759895) is 3,5-dibromo-4-chloro-8-methoxyquinoline.
What is the SMILES notation for 3,5-dibromo-4-chloro-8-methoxyquinoline?
The canonical SMILES for 3,5-dibromo-4-chloro-8-methoxyquinoline is COc1ccc(Br)c2c(Cl)c(Br)cnc12.
What is the InChIKey of 3,5-dibromo-4-chloro-8-methoxyquinoline?
The InChIKey is UBJIZRKMOAXQBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Br2ClNO/c1-15-7-3-2-5(11)8-9(13)6(12)4-14-10(7)8/h2-4H,1H3.
What are the key properties of 3,5-dibromo-4-chloro-8-methoxyquinoline?
3,5-dibromo-4-chloro-8-methoxyquinoline has a molecular weight of 351.43 g/mol, XLogP of 4.42, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-4-chloro-8-methoxyquinoline is sourced from PubChem (CID 114759895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).