6-bromo-4-chloro-2,3,5,7-tetramethylquinoline

C13H13BrClN — CID 107577474

IUPAC6-bromo-4-chloro-2,3,5,7-tetramethylquinoline
SMILESCc1cc2nc(C)c(C)c(Cl)c2c(C)c1Br
InChIInChI=1S/C13H13BrClN/c1-6-5-10-11(8(3)12(6)14)13(15)7(2)9(4)16-10/h5H,1-4H3
InChIKeyXJEKJLOBZJSTJC-UHFFFAOYSA-N
MW298.61 g/mol
LogP4.88
Rot. Bonds

About 6-bromo-4-chloro-2,3,5,7-tetramethylquinoline

6-bromo-4-chloro-2,3,5,7-tetramethylquinoline (PubChem CID 107577474) has the molecular formula C13H13BrClN and a molecular weight of 298.61 g/mol. Its IUPAC name is 6-bromo-4-chloro-2,3,5,7-tetramethylquinoline.

Molecular Properties

Compound Name6-bromo-4-chloro-2,3,5,7-tetramethylquinoline
PubChem CID107577474
Molecular FormulaC13H13BrClN
Molecular Weight298.61 g/mol
Exact Mass296.99
IUPAC Name6-bromo-4-chloro-2,3,5,7-tetramethylquinoline
SMILESCc1cc2nc(C)c(C)c(Cl)c2c(C)c1Br
InChIInChI=1S/C13H13BrClN/c1-6-5-10-11(8(3)12(6)14)13(15)7(2)9(4)16-10/h5H,1-4H3
InChIKeyXJEKJLOBZJSTJC-UHFFFAOYSA-N
XLogP4.88
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.61
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-bromo-2,5,7-trimethyl-3-propan-2-ylquinolin-4-amine
CID 107578725
3-bromo-2,4-dichloro-5,6-dimethylpyridine
CID 169250788
6-bromo-3,4-dichloro-5,7-difluoro-2-methylquinoline
CID 170448621
4,7-dichloro-2,3,6-trimethylquinoline
CID 104722009
7-bromo-6,8-dimethyl-1,2,3,4-tetrahydroacridin-9-amine
CID 107578671
6-bromo-N,3,5,7-tetramethyl-2-(trifluoromethyl)quinolin-4-amine
CID 107578764
6-bromo-4-methoxy-5,7-dimethylquinoline-2-carboxylic acid
CID 107579495
(6-bromo-2-cyclopropyl-5,7-dimethylquinolin-4-yl)hydrazine
CID 107579034
2-chloro-3,6,7-trimethylquinoxaline;ethane
CID 142003452
4-chloro-8-fluoro-2,3,5-trimethylquinoline
CID 60996951
7-bromo-4-chloro-3,6,8-trimethylquinoline
CID 171373456
6-bromo-N,5,7-trimethylquinolin-2-amine
CID 107579682

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-chloro-2,3,5,7-tetramethylquinoline?
The IUPAC name of 6-bromo-4-chloro-2,3,5,7-tetramethylquinoline (CID 107577474) is 6-bromo-4-chloro-2,3,5,7-tetramethylquinoline.
What is the SMILES notation for 6-bromo-4-chloro-2,3,5,7-tetramethylquinoline?
The canonical SMILES for 6-bromo-4-chloro-2,3,5,7-tetramethylquinoline is Cc1cc2nc(C)c(C)c(Cl)c2c(C)c1Br.
What is the InChIKey of 6-bromo-4-chloro-2,3,5,7-tetramethylquinoline?
The InChIKey is XJEKJLOBZJSTJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrClN/c1-6-5-10-11(8(3)12(6)14)13(15)7(2)9(4)16-10/h5H,1-4H3.
What are the key properties of 6-bromo-4-chloro-2,3,5,7-tetramethylquinoline?
6-bromo-4-chloro-2,3,5,7-tetramethylquinoline has a molecular weight of 298.61 g/mol, XLogP of 4.88, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-chloro-2,3,5,7-tetramethylquinoline is sourced from PubChem (CID 107577474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).