4,8-dibromo-3-chloro-2,6-dimethylquinoline

C11H8Br2ClN — CID 121236438

IUPAC4,8-dibromo-3-chloro-2,6-dimethylquinoline
SMILESCc1cc(Br)c2nc(C)c(Cl)c(Br)c2c1
InChIInChI=1S/C11H8Br2ClN/c1-5-3-7-9(13)10(14)6(2)15-11(7)8(12)4-5/h3-4H,1-2H3
InChIKeyUGPMORHYUBUMKB-UHFFFAOYSA-N
MW349.45 g/mol
LogP5.03
Rot. Bonds

About 4,8-dibromo-3-chloro-2,6-dimethylquinoline

4,8-dibromo-3-chloro-2,6-dimethylquinoline (PubChem CID 121236438) has the molecular formula C11H8Br2ClN and a molecular weight of 349.45 g/mol. Its IUPAC name is 4,8-dibromo-3-chloro-2,6-dimethylquinoline.

Molecular Properties

Compound Name4,8-dibromo-3-chloro-2,6-dimethylquinoline
PubChem CID121236438
Molecular FormulaC11H8Br2ClN
Molecular Weight349.45 g/mol
Exact Mass346.87
IUPAC Name4,8-dibromo-3-chloro-2,6-dimethylquinoline
SMILESCc1cc(Br)c2nc(C)c(Cl)c(Br)c2c1
InChIInChI=1S/C11H8Br2ClN/c1-5-3-7-9(13)10(14)6(2)15-11(7)8(12)4-5/h3-4H,1-2H3
InChIKeyUGPMORHYUBUMKB-UHFFFAOYSA-N
XLogP5.03
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.45
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

8-bromo-2,6-dimethyl-3-propan-2-ylquinolin-4-amine
CID 62914764
(8-bromo-4-chloro-6-methylquinazolin-2-yl)methanol
CID 174656084
8-bromo-2-chloro-6-methylquinoline-4-carbonyl chloride
CID 170753013
8-bromo-4-chloro-6-methyl-2-propylquinazoline
CID 106584204
3,8-dibromo-2,6-dimethyl-4-piperazin-1-ylquinoline;hydrochloride
CID 121236154
8-bromo-2-chloro-6-methyl-3-propan-2-ylquinazolin-4-one
CID 170753339
8-bromo-2-chloro-3-cyclopropyl-6-methylquinazolin-4-one
CID 170450465
8-bromo-4-chloro-2-(2,4-dimethylphenyl)-6-methylquinazoline
CID 114589664
8-bromo-2,6-dimethylquinoline-4-carboxylic acid
CID 82184081
4-bromo-8-chloro-2,6-dimethylquinoline
CID 39346163
3,4-dichloro-2,6-dimethylquinoline
CID 54483448
8-bromo-4-chloro-2-(2,3-difluorophenyl)-6-methylquinazoline
CID 114589638

Frequently Asked Questions

What is the IUPAC name of 4,8-dibromo-3-chloro-2,6-dimethylquinoline?
The IUPAC name of 4,8-dibromo-3-chloro-2,6-dimethylquinoline (CID 121236438) is 4,8-dibromo-3-chloro-2,6-dimethylquinoline.
What is the SMILES notation for 4,8-dibromo-3-chloro-2,6-dimethylquinoline?
The canonical SMILES for 4,8-dibromo-3-chloro-2,6-dimethylquinoline is Cc1cc(Br)c2nc(C)c(Cl)c(Br)c2c1.
What is the InChIKey of 4,8-dibromo-3-chloro-2,6-dimethylquinoline?
The InChIKey is UGPMORHYUBUMKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Br2ClN/c1-5-3-7-9(13)10(14)6(2)15-11(7)8(12)4-5/h3-4H,1-2H3.
What are the key properties of 4,8-dibromo-3-chloro-2,6-dimethylquinoline?
4,8-dibromo-3-chloro-2,6-dimethylquinoline has a molecular weight of 349.45 g/mol, XLogP of 5.03, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-dibromo-3-chloro-2,6-dimethylquinoline is sourced from PubChem (CID 121236438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).