5-bromo-4-chloro-6-fluoro-8-methyl-2-phenylquinoline

C16H10BrClFN — CID 107593557

IUPAC5-bromo-4-chloro-6-fluoro-8-methyl-2-phenylquinoline
SMILESCc1cc(F)c(Br)c2c(Cl)cc(-c3ccccc3)nc12
InChIInChI=1S/C16H10BrClFN/c1-9-7-12(19)15(17)14-11(18)8-13(20-16(9)14)10-5-3-2-4-6-10/h2-8H,1H3
InChIKeyZDSSDMFREQULFE-UHFFFAOYSA-N
MW350.62 g/mol
LogP5.77
Rot. Bonds1

About 5-bromo-4-chloro-6-fluoro-8-methyl-2-phenylquinoline

5-bromo-4-chloro-6-fluoro-8-methyl-2-phenylquinoline (PubChem CID 107593557) has the molecular formula C16H10BrClFN and a molecular weight of 350.62 g/mol. Its IUPAC name is 5-bromo-4-chloro-6-fluoro-8-methyl-2-phenylquinoline.

Molecular Properties

Compound Name5-bromo-4-chloro-6-fluoro-8-methyl-2-phenylquinoline
PubChem CID107593557
Molecular FormulaC16H10BrClFN
Molecular Weight350.62 g/mol
Exact Mass348.97
IUPAC Name5-bromo-4-chloro-6-fluoro-8-methyl-2-phenylquinoline
SMILESCc1cc(F)c(Br)c2c(Cl)cc(-c3ccccc3)nc12
InChIInChI=1S/C16H10BrClFN/c1-9-7-12(19)15(17)14-11(18)8-13(20-16(9)14)10-5-3-2-4-6-10/h2-8H,1H3
InChIKeyZDSSDMFREQULFE-UHFFFAOYSA-N
XLogP5.77
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.62
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(5-bromo-6-fluoro-8-methyl-2-phenylquinolin-4-yl)hydrazine
CID 107594078
5-bromo-4-chloro-2-(difluoromethyl)-6-fluoro-8-methylquinoline
CID 107593556
4-chloro-5,8-difluoro-2-phenylquinoline
CID 43668636
4,8-dichloro-5-fluoro-2-phenylquinoline
CID 107530938
5-bromo-4,8-dichloro-2-phenylquinoline
CID 63408837
4-chloro-7,8-dimethyl-2-phenylquinoline
CID 43668735
6-bromo-4,8-dichloro-2-phenylquinoline
CID 43668562
8-chloro-N,5-dimethyl-2-phenylquinolin-4-amine
CID 107628740
4-chloro-5-fluoro-2-phenylpyridine
CID 118805079
4-chloro-2-phenyl-5,6,7,8-tetrahydroquinoline
CID 12798312
4-chloro-2-phenyl-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 118037090
6-bromo-8-fluoro-2-phenylquinolin-4-amine
CID 55045457

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-6-fluoro-8-methyl-2-phenylquinoline?
The IUPAC name of 5-bromo-4-chloro-6-fluoro-8-methyl-2-phenylquinoline (CID 107593557) is 5-bromo-4-chloro-6-fluoro-8-methyl-2-phenylquinoline.
What is the SMILES notation for 5-bromo-4-chloro-6-fluoro-8-methyl-2-phenylquinoline?
The canonical SMILES for 5-bromo-4-chloro-6-fluoro-8-methyl-2-phenylquinoline is Cc1cc(F)c(Br)c2c(Cl)cc(-c3ccccc3)nc12.
What is the InChIKey of 5-bromo-4-chloro-6-fluoro-8-methyl-2-phenylquinoline?
The InChIKey is ZDSSDMFREQULFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrClFN/c1-9-7-12(19)15(17)14-11(18)8-13(20-16(9)14)10-5-3-2-4-6-10/h2-8H,1H3.
What are the key properties of 5-bromo-4-chloro-6-fluoro-8-methyl-2-phenylquinoline?
5-bromo-4-chloro-6-fluoro-8-methyl-2-phenylquinoline has a molecular weight of 350.62 g/mol, XLogP of 5.77, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-6-fluoro-8-methyl-2-phenylquinoline is sourced from PubChem (CID 107593557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).